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

C16H23N3O — CID 60928576

IUPACN-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)C1CCNCC1
InChIInChI=1S/C16H23N3O/c20-16(13-6-8-17-9-7-13)18-14-4-3-5-15(12-14)19-10-1-2-11-19/h3-5,12-13,17H,1-2,6-11H2,(H,18,20)
InChIKeyCGJZXMQKGQXIBZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds3

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

N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 60928576) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
PubChem CID60928576
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)C1CCNCC1
InChIInChI=1S/C16H23N3O/c20-16(13-6-8-17-9-7-13)18-14-4-3-5-15(12-14)19-10-1-2-11-19/h3-5,12-13,17H,1-2,6-11H2,(H,18,20)
InChIKeyCGJZXMQKGQXIBZ-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]pyrrolidine-3-carboxamide
CID 119902694
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785
4-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672792
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide (CID 60928576) is N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)C1CCNCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is CGJZXMQKGQXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(13-6-8-17-9-7-13)18-14-4-3-5-15(12-14)19-10-1-2-11-19/h3-5,12-13,17H,1-2,6-11H2,(H,18,20).
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide?
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 60928576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).