[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

C19H22ClN3O — CID 91660684

IUPAC[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(Cl)ccc1CNC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-14-12-17(20)3-2-16(14)13-22-18-6-10-23(11-7-18)19(24)15-4-8-21-9-5-15/h2-5,8-9,12,18,22H,6-7,10-11,13H2,1H3
InChIKeyZCRUKGHXXQOXIT-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.44
Rot. Bonds4

About [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91660684) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91660684
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cc(Cl)ccc1CNC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C19H22ClN3O/c1-14-12-17(20)3-2-16(14)13-22-18-6-10-23(11-7-18)19(24)15-4-8-21-9-5-15/h2-5,8-9,12,18,22H,6-7,10-11,13H2,1H3
InChIKeyZCRUKGHXXQOXIT-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chloro-2-methylphenyl)methyl]-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86795937
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
4-chloro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-2-carboxamide
CID 86991925
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
[4-[(2-ethyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 47619089
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
1-(2,5-dichlorobenzoyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55849133
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone (CID 91660684) is [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cc(Cl)ccc1CNC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is ZCRUKGHXXQOXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-12-17(20)3-2-16(14)13-22-18-6-10-23(11-7-18)19(24)15-4-8-21-9-5-15/h2-5,8-9,12,18,22H,6-7,10-11,13H2,1H3.
What are the key properties of [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 343.86 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-2-methylphenyl)methylamino]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91660684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).