N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide

C14H20ClN3O — CID 81044263

IUPACN-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccnc1Cl)C1CCCNC1
InChIInChI=1S/C14H20ClN3O/c1-10(11-4-2-6-16-9-11)8-13(19)18-12-5-3-7-17-14(12)15/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,18,19)
InChIKeyQASFPEWXXCFULX-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.70
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide

N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide (PubChem CID 81044263) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
PubChem CID81044263
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccnc1Cl)C1CCCNC1
InChIInChI=1S/C14H20ClN3O/c1-10(11-4-2-6-16-9-11)8-13(19)18-12-5-3-7-17-14(12)15/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,18,19)
InChIKeyQASFPEWXXCFULX-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119847742
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119850277
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide (CID 81044263) is N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1cccnc1Cl)C1CCCNC1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide?
The InChIKey is QASFPEWXXCFULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(11-4-2-6-16-9-11)8-13(19)18-12-5-3-7-17-14(12)15/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide?
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide has a molecular weight of 281.79 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).