3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide

C14H23N3O — CID 114181937

IUPAC3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cc[nH]c2)CCCNC1
InChIInChI=1S/C14H23N3O/c1-2-5-14(6-3-7-16-11-14)13(18)17-10-12-4-8-15-9-12/h4,8-9,15-16H,2-3,5-7,10-11H2,1H3,(H,17,18)
InChIKeyGSVAAQGXMJJAEZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds5

About 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide

3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 114181937) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
PubChem CID114181937
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2cc[nH]c2)CCCNC1
InChIInChI=1S/C14H23N3O/c1-2-5-14(6-3-7-16-11-14)13(18)17-10-12-4-8-15-9-12/h4,8-9,15-16H,2-3,5-7,10-11H2,1H3,(H,17,18)
InChIKeyGSVAAQGXMJJAEZ-UHFFFAOYSA-N
XLogP1.80
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide (CID 114181937) is 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide is CCCC1(C(=O)NCc2cc[nH]c2)CCCNC1.
What is the InChIKey of 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GSVAAQGXMJJAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-5-14(6-3-7-16-11-14)13(18)17-10-12-4-8-15-9-12/h4,8-9,15-16H,2-3,5-7,10-11H2,1H3,(H,17,18).
What are the key properties of 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide?
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 114181937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).