[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone

C17H18ClN3O — CID 4613355

IUPAC[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H18ClN3O/c18-14-2-1-3-16(12-14)20-15-6-10-21(11-7-15)17(22)13-4-8-19-9-5-13/h1-5,8-9,12,15,20H,6-7,10-11H2
InChIKeyOIEIVQYBXZGOGZ-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.45
Rot. Bonds3

About [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 4613355) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID4613355
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H18ClN3O/c18-14-2-1-3-16(12-14)20-15-6-10-21(11-7-15)17(22)13-4-8-19-9-5-13/h1-5,8-9,12,15,20H,6-7,10-11H2
InChIKeyOIEIVQYBXZGOGZ-UHFFFAOYSA-N
XLogP3.45
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-[3-(hydroxymethyl)anilino]piperidin-1-yl]methanone
CID 100693749
[1-(3-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
CID 20801042
1-[4-(3-chloroanilino)piperidin-1-yl]-3-methylbutan-1-one
CID 5030515
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91660684
N-(3-chlorophenyl)-1-methylpiperidin-4-amine
CID 13336311
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 126840338
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]formamide
CID 142457700
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone (CID 4613355) is [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(Nc2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is OIEIVQYBXZGOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-2-1-3-16(12-14)20-15-6-10-21(11-7-15)17(22)13-4-8-19-9-5-13/h1-5,8-9,12,15,20H,6-7,10-11H2.
What are the key properties of [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 315.80 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 4613355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).