4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

C22H25N3O2 — CID 134042470

IUPAC4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-27-18-6-4-5-16(13-18)14-24-22(26)25-11-9-17(10-12-25)20-15-23-21-8-3-2-7-19(20)21/h2-8,13,15,17,23H,9-12,14H2,1H3,(H,24,26)
InChIKeyLPWOOHLKSMIBKE-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.27
Rot. Bonds4

About 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 134042470) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID134042470
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-27-18-6-4-5-16(13-18)14-24-22(26)25-11-9-17(10-12-25)20-15-23-21-8-3-2-7-19(20)21/h2-8,13,15,17,23H,9-12,14H2,1H3,(H,24,26)
InChIKeyLPWOOHLKSMIBKE-UHFFFAOYSA-N
XLogP4.27
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-pentan-3-ylpiperidine-1-carboxamide
CID 134001798
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
N-[(3-methoxyphenyl)methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 53057818
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 41172691
propan-2-yl 3-[[4-(5-methoxy-1H-indol-3-yl)piperidine-1-carbonyl]amino]propanoate
CID 86837322
N-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 166207328
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
3-(3-methoxyphenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 112533887
4-(5-amino-4-ethyl-1,2-oxazol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53146833
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 134042470) is 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is LPWOOHLKSMIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-18-6-4-5-16(13-18)14-24-22(26)25-11-9-17(10-12-25)20-15-23-21-8-3-2-7-19(20)21/h2-8,13,15,17,23H,9-12,14H2,1H3,(H,24,26).
What are the key properties of 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 134042470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).