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

C27H35N5O2 — CID 59727790

IUPAC1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cccc(N2CCNCC2)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H35N5O2/c1-34-26-4-2-3-24(31-17-11-29-12-18-31)23(26)10-15-30-13-8-22(9-14-30)32-16-7-20-5-6-21(27(28)33)19-25(20)32/h2-7,16,19,22,29H,8-15,17-18H2,1H3,(H2,28,33)
InChIKeyISPDYEBXDJZYAM-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.04
Rot. Bonds7

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

1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727790) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727790
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1cccc(N2CCNCC2)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C27H35N5O2/c1-34-26-4-2-3-24(31-17-11-29-12-18-31)23(26)10-15-30-13-8-22(9-14-30)32-16-7-20-5-6-21(27(28)33)19-25(20)32/h2-7,16,19,22,29H,8-15,17-18H2,1H3,(H2,28,33)
InChIKeyISPDYEBXDJZYAM-UHFFFAOYSA-N
XLogP3.04
TPSA75.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727851
1-[1-[2-(2-acetyl-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727875
1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727853
1-[1-[2-(2-hydroxy-6-methoxyphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide;1-[1-[2-[2-methoxy-6-(2-methylpropoxy)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 158429681
1-[1-[2-(5-methoxy-1-oxo-2,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11683433
1-[1-[2-(5-methoxy-2-oxo-1,3-dihydroinden-4-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 58970097
1-[1-[2-(6-methoxy-2-methyl-1,3-benzoxazol-7-yl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 11626189
1-[1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727867
ethane;1-[1-[2-(2-methoxy-5-piperidin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 143271947
1-[1-[2-[5,7-dimethoxy-1-(methoxyamino)-3H-inden-4-yl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 90972803
1-[1-[2-[5-(4-acetylpiperazine-1-carbonyl)-2-methoxyphenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727765
1-[1-[2-(2-methoxy-5-nitrophenyl)ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727869

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727790) is 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1cccc(N2CCNCC2)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is ISPDYEBXDJZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-34-26-4-2-3-24(31-17-11-29-12-18-31)23(26)10-15-30-13-8-22(9-14-30)32-16-7-20-5-6-21(27(28)33)19-25(20)32/h2-7,16,19,22,29H,8-15,17-18H2,1H3,(H2,28,33).
What are the key properties of 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methoxy-6-piperazin-1-ylphenyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).