2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide

C22H23N3O2 — CID 59008542

IUPAC2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1CN1CCCCC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O2/c26-21(18-14-23-20-11-5-3-9-17(18)20)22(27)24-19-10-4-2-8-16(19)15-25-12-6-1-7-13-25/h2-5,8-11,14,23H,1,6-7,12-13,15H2,(H,24,27)
InChIKeyDARZRMVYSDRPTA-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.98
Rot. Bonds5

About 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide

2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 59008542) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID59008542
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1CN1CCCCC1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H23N3O2/c26-21(18-14-23-20-11-5-3-9-17(18)20)22(27)24-19-10-4-2-8-16(19)15-25-12-6-1-7-13-25/h2-5,8-11,14,23H,1,6-7,12-13,15H2,(H,24,27)
InChIKeyDARZRMVYSDRPTA-UHFFFAOYSA-N
XLogP3.98
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2986288
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 72920810
1-(1H-indol-3-yl)-2-phenyl-3-piperidin-1-ylpropan-1-one
CID 117066232
N-(2-ethylphenyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 113208450
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
(2R)-2-amino-4-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 104902926
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
N-[2-[(cyclohexylmethylamino)methyl]phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 66675127
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide (CID 59008542) is 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide is O=C(Nc1ccccc1CN1CCCCC1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is DARZRMVYSDRPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(18-14-23-20-11-5-3-9-17(18)20)22(27)24-19-10-4-2-8-16(19)15-25-12-6-1-7-13-25/h2-5,8-11,14,23H,1,6-7,12-13,15H2,(H,24,27).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide?
2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 59008542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).