1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide

C18H25N3O2 — CID 110686168

IUPAC1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C18H25N3O2/c1-14(22)21-12-4-5-15(13-21)18(23)19-16-6-8-17(9-7-16)20-10-2-3-11-20/h6-9,15H,2-5,10-13H2,1H3,(H,19,23)
InChIKeyDIKIDZPOMSYMQZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.48
Rot. Bonds3

About 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide

1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 110686168) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
PubChem CID110686168
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(N3CCCC3)cc2)C1
InChIInChI=1S/C18H25N3O2/c1-14(22)21-12-4-5-15(13-21)18(23)19-16-6-8-17(9-7-16)20-10-2-3-11-20/h6-9,15H,2-5,10-13H2,1H3,(H,19,23)
InChIKeyDIKIDZPOMSYMQZ-UHFFFAOYSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 110686171
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
1-[[(3R)-1-acetylpiperidine-3-carbonyl]amino]-3-(4-chlorophenyl)thiourea
CID 9317527
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide (CID 110686168) is 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2ccc(N3CCCC3)cc2)C1.
What is the InChIKey of 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is DIKIDZPOMSYMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(22)21-12-4-5-15(13-21)18(23)19-16-6-8-17(9-7-16)20-10-2-3-11-20/h6-9,15H,2-5,10-13H2,1H3,(H,19,23).
What are the key properties of 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide?
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 110686168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).