N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide

C27H27ClN4O2 — CID 5279392

IUPACN-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
SMILESO=C1Nc2ccccc2C(c2ccccc2)(c2cccc(Cl)c2)NC1NC(=O)N1CCCCC1
InChIInChI=1S/C27H27ClN4O2/c28-21-13-9-12-20(18-21)27(19-10-3-1-4-11-19)22-14-5-6-15-23(22)29-25(33)24(31-27)30-26(34)32-16-7-2-8-17-32/h1,3-6,9-15,18,24,31H,2,7-8,16-17H2,(H,29,33)(H,30,34)
InChIKeyUNQFYODGYCJLNI-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.70
Rot. Bonds3

About N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide

N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide (PubChem CID 5279392) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
PubChem CID5279392
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC NameN-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
SMILESO=C1Nc2ccccc2C(c2ccccc2)(c2cccc(Cl)c2)NC1NC(=O)N1CCCCC1
InChIInChI=1S/C27H27ClN4O2/c28-21-13-9-12-20(18-21)27(19-10-3-1-4-11-19)22-14-5-6-15-23(22)29-25(33)24(31-27)30-26(34)32-16-7-2-8-17-32/h1,3-6,9-15,18,24,31H,2,7-8,16-17H2,(H,29,33)(H,30,34)
InChIKeyUNQFYODGYCJLNI-UHFFFAOYSA-N
XLogP4.70
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide (CID 5279392) is N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide is O=C1Nc2ccccc2C(c2ccccc2)(c2cccc(Cl)c2)NC1NC(=O)N1CCCCC1.
What is the InChIKey of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide?
The InChIKey is UNQFYODGYCJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c28-21-13-9-12-20(18-21)27(19-10-3-1-4-11-19)22-14-5-6-15-23(22)29-25(33)24(31-27)30-26(34)32-16-7-2-8-17-32/h1,3-6,9-15,18,24,31H,2,7-8,16-17H2,(H,29,33)(H,30,34).
What are the key properties of N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide?
N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide has a molecular weight of 474.99 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-2-oxo-5-phenyl-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 5279392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).