N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide

C12H16ClN3O — CID 54910721

IUPACN-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cccnc1Cl
InChIInChI=1S/C12H16ClN3O/c13-12-10(2-1-5-15-12)16-11(17)8-9-3-6-14-7-4-9/h1-2,5,9,14H,3-4,6-8H2,(H,16,17)
InChIKeyUDYJTOAOHSQGKZ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.06
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide

N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide (PubChem CID 54910721) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
PubChem CID54910721
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cccnc1Cl
InChIInChI=1S/C12H16ClN3O/c13-12-10(2-1-5-15-12)16-11(17)8-9-3-6-14-7-4-9/h1-2,5,9,14H,3-4,6-8H2,(H,16,17)
InChIKeyUDYJTOAOHSQGKZ-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.06
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-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-ylmethyl)amino]acetamide
CID 79703986
N-(2-chloro-3-pyridinyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807840
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
N-(3-bromo-2-hydroxyphenyl)-2-piperidin-4-ylacetamide
CID 81494966
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-(2-chloro-3-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968065
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide (CID 54910721) is N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide?
The InChIKey is UDYJTOAOHSQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-12-10(2-1-5-15-12)16-11(17)8-9-3-6-14-7-4-9/h1-2,5,9,14H,3-4,6-8H2,(H,16,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide?
N-(2-chloro-3-pyridinyl)-2-piperidin-4-ylacetamide has a molecular weight of 253.73 g/mol, XLogP of 2.06, 3 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)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 54910721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).