4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide

C16H25N3O — CID 63127602

IUPAC4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(C)c2cccnc2)CCNCC1
InChIInChI=1S/C16H25N3O/c1-3-6-16(7-10-17-11-8-16)15(20)19-13(2)14-5-4-9-18-12-14/h4-5,9,12-13,17H,3,6-8,10-11H2,1-2H3,(H,19,20)
InChIKeyZSXQJEMYPXYGSA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.43
Rot. Bonds5

About 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide

4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 63127602) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
PubChem CID63127602
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESCCCC1(C(=O)NC(C)c2cccnc2)CCNCC1
InChIInChI=1S/C16H25N3O/c1-3-6-16(7-10-17-11-8-16)15(20)19-13(2)14-5-4-9-18-12-14/h4-5,9,12-13,17H,3,6-8,10-11H2,1-2H3,(H,19,20)
InChIKeyZSXQJEMYPXYGSA-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
N-[(1R)-1-(3-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81367899
1-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]cyclopropane-1-carboxamide
CID 115453576
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81352065
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81353099
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
2-ethyl-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 83080528
N-[(1R)-1-pyridin-3-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81404390
N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81404563
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
1-(1-pyridin-3-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095230

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide (CID 63127602) is 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide is CCCC1(C(=O)NC(C)c2cccnc2)CCNCC1.
What is the InChIKey of 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is ZSXQJEMYPXYGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-6-16(7-10-17-11-8-16)15(20)19-13(2)14-5-4-9-18-12-14/h4-5,9,12-13,17H,3,6-8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide?
4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(1-pyridin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 63127602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).