N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide

C24H29N3O2 — CID 140931178

IUPACN-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCN2CCCC(CNC(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C24H29N3O2/c1-29-21-9-4-6-18(14-21)11-13-27-12-5-7-19(17-27)16-25-24(28)23-15-20-8-2-3-10-22(20)26-23/h2-4,6,8-10,14-15,19,26H,5,7,11-13,16-17H2,1H3,(H,25,28)
InChIKeyVNWQHZGUKMRKHY-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.86
Rot. Bonds7

About N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 140931178) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
PubChem CID140931178
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CCN2CCCC(CNC(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C24H29N3O2/c1-29-21-9-4-6-18(14-21)11-13-27-12-5-7-19(17-27)16-25-24(28)23-15-20-8-2-3-10-22(20)26-23/h2-4,6,8-10,14-15,19,26H,5,7,11-13,16-17H2,1H3,(H,25,28)
InChIKeyVNWQHZGUKMRKHY-UHFFFAOYSA-N
XLogP3.86
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 140931219
N-benzyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 140931142
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3H-benzo[e]indole-2-carboxamide
CID 94811143
ethyl 3-[[(3R)-3-[(1H-indole-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]propanoate
CID 25461417
N-[[1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 72870229
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 174673242
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97454121
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-benzoxazole-2-carboxamide
CID 140931220
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide (CID 140931178) is N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is COc1cccc(CCN2CCCC(CNC(=O)c3cc4ccccc4[nH]3)C2)c1.
What is the InChIKey of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is VNWQHZGUKMRKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-21-9-4-6-18(14-21)11-13-27-12-5-7-19(17-27)16-25-24(28)23-15-20-8-2-3-10-22(20)26-23/h2-4,6,8-10,14-15,19,26H,5,7,11-13,16-17H2,1H3,(H,25,28).
What are the key properties of N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide?
N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 140931178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).