2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one

C23H29N3O — CID 174853959

IUPAC2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1
InChIInChI=1S/C23H29N3O/c1-17(2)23(27)25-12-9-19(10-13-25)18-5-7-22(8-6-18)26-15-21(16-26)20-4-3-11-24-14-20/h3-8,11,14,17,19,21H,9-10,12-13,15-16H2,1-2H3
InChIKeyINTINOHEXAAGNS-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.05
Rot. Bonds4

About 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one (PubChem CID 174853959) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
PubChem CID174853959
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1
InChIInChI=1S/C23H29N3O/c1-17(2)23(27)25-12-9-19(10-13-25)18-5-7-22(8-6-18)26-15-21(16-26)20-4-3-11-24-14-20/h3-8,11,14,17,19,21H,9-10,12-13,15-16H2,1-2H3
InChIKeyINTINOHEXAAGNS-UHFFFAOYSA-N
XLogP4.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 174853962
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
2-methyl-1-[4-[4-[1-(3-phenylpyrrolidine-1-carbonyl)cyclopropyl]phenyl]piperazin-1-yl]propan-1-one
CID 66662196
N-[1-[4-[1-[4-(cyclopropylmethoxy)phenyl]azetidin-3-yl]phenyl]ethyl]-2-pyridin-3-ylacetamide
CID 123659712
N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011465
methyl 4-[1-(2-methylpropanoyl)piperidin-4-yl]benzoate
CID 170758157
(2S)-2-amino-3-methyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 61165041
2-methyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608399
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
N-[4-[1-(2-methylpropanoyl)azetidin-3-yl]oxyphenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011030
1-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]-2-methylpropan-1-one
CID 176811840

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one (CID 174853959) is 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1.
What is the InChIKey of 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one?
The InChIKey is INTINOHEXAAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17(2)23(27)25-12-9-19(10-13-25)18-5-7-22(8-6-18)26-15-21(16-26)20-4-3-11-24-14-20/h3-8,11,14,17,19,21H,9-10,12-13,15-16H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one has a molecular weight of 363.51 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 174853959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).