N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide

C29H36N4O3 — CID 22135179

IUPACN-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCN(C2CCCC2)CC1)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C29H36N4O3/c1-36-27-9-5-4-8-26(27)33(29(35)23-11-10-22-12-15-30-25(22)18-23)20-28(34)31-19-21-13-16-32(17-14-21)24-6-2-3-7-24/h4-5,8-12,15,18,21,24,30H,2-3,6-7,13-14,16-17,19-20H2,1H3,(H,31,34)
InChIKeyWRHINSRWKVVHCN-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.59
Rot. Bonds8

About N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide

N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide (PubChem CID 22135179) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide
PubChem CID22135179
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC NameN-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide
SMILESCOc1ccccc1N(CC(=O)NCC1CCN(C2CCCC2)CC1)C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C29H36N4O3/c1-36-27-9-5-4-8-26(27)33(29(35)23-11-10-22-12-15-30-25(22)18-23)20-28(34)31-19-21-13-16-32(17-14-21)24-6-2-3-7-24/h4-5,8-12,15,18,21,24,30H,2-3,6-7,13-14,16-17,19-20H2,1H3,(H,31,34)
InChIKeyWRHINSRWKVVHCN-UHFFFAOYSA-N
XLogP4.59
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide?
The IUPAC name of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide (CID 22135179) is N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide is COc1ccccc1N(CC(=O)NCC1CCN(C2CCCC2)CC1)C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide?
The InChIKey is WRHINSRWKVVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-36-27-9-5-4-8-26(27)33(29(35)23-11-10-22-12-15-30-25(22)18-23)20-28(34)31-19-21-13-16-32(17-14-21)24-6-2-3-7-24/h4-5,8-12,15,18,21,24,30H,2-3,6-7,13-14,16-17,19-20H2,1H3,(H,31,34).
What are the key properties of N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide?
N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide has a molecular weight of 488.63 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 22135179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).