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

C14H20ClN3O — CID 103094136

IUPACN-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ncccc1Cl)C1CCCNC1
InChIInChI=1S/C14H20ClN3O/c1-10(11-4-2-6-16-9-11)8-13(19)18-14-12(15)5-3-7-17-14/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,17,18,19)
InChIKeyCMHYTJWCFJVINZ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.70
Rot. Bonds4

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

N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide (PubChem CID 103094136) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
PubChem CID103094136
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ncccc1Cl)C1CCCNC1
InChIInChI=1S/C14H20ClN3O/c1-10(11-4-2-6-16-9-11)8-13(19)18-14-12(15)5-3-7-17-14/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,17,18,19)
InChIKeyCMHYTJWCFJVINZ-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

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Related Compounds

N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119850277
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(3-ethyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide
CID 82737570
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-piperidin-3-ylbutanamide
CID 119847742
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide (CID 103094136) is N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ncccc1Cl)C1CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide?
The InChIKey is CMHYTJWCFJVINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(11-4-2-6-16-9-11)8-13(19)18-14-12(15)5-3-7-17-14/h3,5,7,10-11,16H,2,4,6,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide?
N-(3-chloro-2-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-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 103094136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).