1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C55H72N10O4 — CID 158234753

IUPAC1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCN(C)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C28H37N5O2.C27H35N5O2/c1-30-15-17-32(18-16-30)25-5-6-27(35-2)22(19-25)7-11-31-12-9-24(10-13-31)33-14-8-21-3-4-23(28(29)34)20-26(21)33;1-34-26-5-4-24(31-16-10-29-11-17-31)18-21(26)6-12-30-13-8-23(9-14-30)32-15-7-20-2-3-22(27(28)33)19-25(20)32/h3-6,8,14,19-20,24H,7,9-13,15-18H2,1-2H3,(H2,29,34);2-5,7,15,18-19,23,29H,6,8-14,16-17H2,1H3,(H2,28,33)
InChIKeyGEVAPEIEIWSOAQ-UHFFFAOYSA-N
MW937.25 g/mol
LogP6.42
Rot. Bonds14

About 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 158234753) has the molecular formula C55H72N10O4 and a molecular weight of 937.25 g/mol. Its IUPAC name is 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID158234753
Molecular FormulaC55H72N10O4
Molecular Weight937.25 g/mol
Exact Mass936.57
IUPAC Name1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N2CCN(C)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C28H37N5O2.C27H35N5O2/c1-30-15-17-32(18-16-30)25-5-6-27(35-2)22(19-25)7-11-31-12-9-24(10-13-31)33-14-8-21-3-4-23(28(29)34)20-26(21)33;1-34-26-5-4-24(31-16-10-29-11-17-31)18-21(26)6-12-30-13-8-23(9-14-30)32-15-7-20-2-3-22(27(28)33)19-25(20)32/h3-6,8,14,19-20,24H,7,9-13,15-18H2,1-2H3,(H2,29,34);2-5,7,15,18-19,23,29H,6,8-14,16-17H2,1H3,(H2,28,33)
InChIKeyGEVAPEIEIWSOAQ-UHFFFAOYSA-N
XLogP6.42
TPSA142.73 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.25
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide with MolForge

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Related Compounds

(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600573
1-[4-[4-[4-[2-(1H-indol-5-yl)-6-(4-methoxyphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798393
9-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrido[3,4-b]indole-7-carboxamide
CID 121363748
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(1-propan-2-ylindol-6-yl)methyl]piperazin-2-one
CID 122600910
(6S)-6-benzyl-1-[(1-cyclopropylindol-6-yl)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600913
(6S)-6-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(1-methylindol-6-yl)methyl]piperazin-2-one
CID 122600978
3-(1H-indol-3-yl)-4-[2-methoxy-5-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrrole-2,5-dione
CID 150234011
N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl-piperazin-1-yl)-acetylamino]-propyl}-N-(2-methoxy-benzyl)-benzamide
CID 10722491
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 46880462
[(3R)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 46880463
[(2S)-4-(1H-indole-6-carbonyl)-2-methylpiperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 46880495
[(2R)-4-(1H-indole-6-carbonyl)-2-methylpiperazin-1-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 46880496

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 158234753) is 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N2CCN(C)CC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(N2CCNCC2)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is GEVAPEIEIWSOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2.C27H35N5O2/c1-30-15-17-32(18-16-30)25-5-6-27(35-2)22(19-25)7-11-31-12-9-24(10-13-31)33-14-8-21-3-4-23(28(29)34)20-26(21)33;1-34-26-5-4-24(31-16-10-29-11-17-31)18-21(26)6-12-30-13-8-23(9-14-30)32-15-7-20-2-3-22(27(28)33)19-25(20)32/h3-6,8,14,19-20,24H,7,9-13,15-18H2,1-2H3,(H2,29,34);2-5,7,15,18-19,23,29H,6,8-14,16-17H2,1H3,(H2,28,33).
What are the key properties of 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 937.25 g/mol, XLogP of 6.42, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-(2-methoxy-5-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 158234753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).