N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide

C14H20ClN3O — CID 103094157

IUPACN-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ncccc2Cl)CCCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-6-14(7-4-8-16-10-14)13(19)18-12-11(15)5-3-9-17-12/h3,5,9,16H,2,4,6-8,10H2,1H3,(H,17,18,19)
InChIKeyHPTBGRZMLNQDMZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.84
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide

N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide (PubChem CID 103094157) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
PubChem CID103094157
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ncccc2Cl)CCCNC1
InChIInChI=1S/C14H20ClN3O/c1-2-6-14(7-4-8-16-10-14)13(19)18-12-11(15)5-3-9-17-12/h3,5,9,16H,2,4,6-8,10H2,1H3,(H,17,18,19)
InChIKeyHPTBGRZMLNQDMZ-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide (CID 103094157) is N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2ncccc2Cl)CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is HPTBGRZMLNQDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-6-14(7-4-8-16-10-14)13(19)18-12-11(15)5-3-9-17-12/h3,5,9,16H,2,4,6-8,10H2,1H3,(H,17,18,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide?
N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 103094157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).