2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C16H22ClN3O — CID 133351756

IUPAC2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(c2ccncc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H22ClN3O/c17-14-12-18-6-3-15(14)19-9-4-13(5-10-19)11-16(21)20-7-1-2-8-20/h3,6,12-13H,1-2,4-5,7-11H2
InChIKeySYKQMNVHUPAXHA-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.96
Rot. Bonds3

About 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 133351756) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID133351756
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(c2ccncc2Cl)CC1)N1CCCC1
InChIInChI=1S/C16H22ClN3O/c17-14-12-18-6-3-15(14)19-9-4-13(5-10-19)11-16(21)20-7-1-2-8-20/h3,6,12-13H,1-2,4-5,7-11H2
InChIKeySYKQMNVHUPAXHA-UHFFFAOYSA-N
XLogP2.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 171992936
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81243873
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]cyclohexanecarboxamide
CID 133351817
3-chloro-4-(4-piperidin-1-ylpiperidin-1-yl)pyridine
CID 166600645
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 171992777
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-[(1R)-2,2-dichlorocyclopropyl]methanone
CID 97242539
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 133351714
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 133351756) is 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCN(c2ccncc2Cl)CC1)N1CCCC1.
What is the InChIKey of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is SYKQMNVHUPAXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-14-12-18-6-3-15(14)19-9-4-13(5-10-19)11-16(21)20-7-1-2-8-20/h3,6,12-13H,1-2,4-5,7-11H2.
What are the key properties of 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 307.82 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 133351756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).