(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone

C22H26N2O — CID 131875139

IUPAC(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C22H26N2O/c25-22(23-14-8-3-9-15-23)20-16-24(17-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2
InChIKeyDTDHZKDQHXGEPV-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.72
Rot. Bonds4

About (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone

(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone (PubChem CID 131875139) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
PubChem CID131875139
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCCCC1
InChIInChI=1S/C22H26N2O/c25-22(23-14-8-3-9-15-23)20-16-24(17-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2
InChIKeyDTDHZKDQHXGEPV-UHFFFAOYSA-N
XLogP3.72
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
CID 29133609
(4-benzhydrylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 27087822
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 35552494
(4-benzhydrylpiperazin-1-yl)-[2-(3-methylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 24891624
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
carbamoyl 1-benzhydrylazetidine-3-carboxylate
CID 91408573
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
(4-benzhydrylpiperazin-1-yl)-[2-(4-morpholin-4-ylpiperazine-1-carbonyl)cyclopropyl]methanone
CID 24891233
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764

Frequently Asked Questions

What is the IUPAC name of (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone (CID 131875139) is (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone is O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCCCC1.
What is the InChIKey of (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone?
The InChIKey is DTDHZKDQHXGEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(23-14-8-3-9-15-23)20-16-24(17-20)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20-21H,3,8-9,14-17H2.
What are the key properties of (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone?
(1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzhydrylazetidin-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 131875139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).