[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone

C17H24ClN3O — CID 133373916

IUPAC[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(Nc2ccnc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O/c18-16-12-15(6-9-19-16)20-14-7-10-21(11-8-14)17(22)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H,19,20)
InChIKeyBOVZFQXWYRHSPM-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.72
Rot. Bonds3

About [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone

[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone (PubChem CID 133373916) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
PubChem CID133373916
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(Nc2ccnc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3O/c18-16-12-15(6-9-19-16)20-14-7-10-21(11-8-14)17(22)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H,19,20)
InChIKeyBOVZFQXWYRHSPM-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
trans-(1S,2S)-2-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 133495254
[4-(pyridin-4-ylamino)piperidin-1-yl]-spiro[3.5]nonan-7-ylmethanone
CID 154870417
cyclobutyl-[4-[(4-ethyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 130267519
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881
3-[(2-chloro-4-pyridinyl)amino]cyclobutan-1-ol
CID 102824278
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
[4-(3-chloro-4-methylanilino)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 68596509

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone (CID 133373916) is [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCC(Nc2ccnc(Cl)c2)CC1.
What is the InChIKey of [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone?
The InChIKey is BOVZFQXWYRHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-16-12-15(6-9-19-16)20-14-7-10-21(11-8-14)17(22)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H,19,20).
What are the key properties of [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone?
[4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone has a molecular weight of 321.85 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-4-pyridinyl)amino]piperidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 133373916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).