1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

C48H60N8O4 — CID 158274825

IUPAC1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N(C)C)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(N)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H32N4O2.C23H28N4O2/c1-27(2)22-6-7-24(31-3)19(16-22)8-12-28-13-10-21(11-14-28)29-15-9-18-4-5-20(25(26)30)17-23(18)29;1-29-22-5-4-19(24)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(25)28)15-21(16)27/h4-7,9,15-17,21H,8,10-14H2,1-3H3,(H2,26,30);2-5,7,13-15,20H,6,8-12,24H2,1H3,(H2,25,28)
InChIKeyGJMDXCBLGREWCA-UHFFFAOYSA-N
MW813.06 g/mol
LogP6.91
Rot. Bonds13

About 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 158274825) has the molecular formula C48H60N8O4 and a molecular weight of 813.06 g/mol. Its IUPAC name is 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID158274825
Molecular FormulaC48H60N8O4
Molecular Weight813.06 g/mol
Exact Mass812.47
IUPAC Name1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccc(N(C)C)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(N)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C25H32N4O2.C23H28N4O2/c1-27(2)22-6-7-24(31-3)19(16-22)8-12-28-13-10-21(11-14-28)29-15-9-18-4-5-20(25(26)30)17-23(18)29;1-29-22-5-4-19(24)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(25)28)15-21(16)27/h4-7,9,15-17,21H,8,10-14H2,1-3H3,(H2,26,30);2-5,7,13-15,20H,6,8-12,24H2,1H3,(H2,25,28)
InChIKeyGJMDXCBLGREWCA-UHFFFAOYSA-N
XLogP6.91
TPSA150.24 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 56.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-{(1S,2R)-1-Benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-1-ethyl-4-(2-oxopyrrolidin-1-YL)-1H-indole-6-carboxamide
CID 44526776
(6S)-6-benzyl-1-(1H-indol-6-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600573
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
N-{3-(1H-Indol-3-yl)-2-[2-(4-phenyl-piperazin-1-yl)-acetylamino]-propyl}-N-(2-methoxy-benzyl)-benzamide
CID 10722491
N-[4-[4-(5-methoxy-1-propan-2-ylindol-3-yl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 44532893
N-[4-[[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]-4-phenylbenzamide
CID 44533179
[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-(2-methoxyphenyl)phenyl]methanone
CID 46880569
N-(6-methoxy-3-pyridinyl)-5-methylpyrido[4,3-b]indole-7-carboxamide
CID 164609804
3-(3-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 66603980

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide (CID 158274825) is 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccc(N(C)C)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.COc1ccc(N)cc1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is GJMDXCBLGREWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2.C23H28N4O2/c1-27(2)22-6-7-24(31-3)19(16-22)8-12-28-13-10-21(11-14-28)29-15-9-18-4-5-20(25(26)30)17-23(18)29;1-29-22-5-4-19(24)14-17(22)6-10-26-11-8-20(9-12-26)27-13-7-16-2-3-18(23(25)28)15-21(16)27/h4-7,9,15-17,21H,8,10-14H2,1-3H3,(H2,26,30);2-5,7,13-15,20H,6,8-12,24H2,1H3,(H2,25,28).
What are the key properties of 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 813.06 g/mol, XLogP of 6.91, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(5-amino-2-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[5-(dimethylamino)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 158274825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).