N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide

C23H27N3O2 — CID 86988954

IUPACN-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CN2C(=O)CC2c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22-15-21(19-9-5-2-6-10-19)26(22)17-25-13-11-20(12-14-25)23(28)24-16-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2,(H,24,28)
InChIKeySNKGKMTVHCXALJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.95
Rot. Bonds6

About N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide

N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide (PubChem CID 86988954) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide
PubChem CID86988954
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(CN2C(=O)CC2c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22-15-21(19-9-5-2-6-10-19)26(22)17-25-13-11-20(12-14-25)23(28)24-16-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2,(H,24,28)
InChIKeySNKGKMTVHCXALJ-UHFFFAOYSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
N-benzyl-1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 27107050
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
N-benzyl-1-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-4-carboxamide
CID 36615288
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide (CID 86988954) is N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(CN2C(=O)CC2c2ccccc2)CC1.
What is the InChIKey of N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide?
The InChIKey is SNKGKMTVHCXALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-15-21(19-9-5-2-6-10-19)26(22)17-25-13-11-20(12-14-25)23(28)24-16-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2,(H,24,28).
What are the key properties of N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide?
N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-oxo-4-phenylazetidin-1-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 86988954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).