N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide

C20H30N4O2 — CID 126453267

IUPACN-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESO=C1CN(C(=O)NCC[C@H]2CCCCN2Cc2ccccc2)CCCN1
InChIInChI=1S/C20H30N4O2/c25-19-16-24(14-6-11-21-19)20(26)22-12-10-18-9-4-5-13-23(18)15-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,21,25)(H,22,26)/t18-/m1/s1
InChIKeyGSWOEUSEPZIOKG-GOSISDBHSA-N
MW358.49 g/mol
LogP1.96
Rot. Bonds5

About N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide

N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide (PubChem CID 126453267) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
PubChem CID126453267
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide
SMILESO=C1CN(C(=O)NCC[C@H]2CCCCN2Cc2ccccc2)CCCN1
InChIInChI=1S/C20H30N4O2/c25-19-16-24(14-6-11-21-19)20(26)22-12-10-18-9-4-5-13-23(18)15-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,21,25)(H,22,26)/t18-/m1/s1
InChIKeyGSWOEUSEPZIOKG-GOSISDBHSA-N
XLogP1.96
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(2H-tetrazol-5-ylmethyl)urea
CID 126450941
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 125158764
1-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]urea
CID 137084168
N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
CID 118775600
N-[2-(1-benzylpiperidin-2-yl)ethyl]-3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanamide
CID 131936710
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
N-[[3-(hydroxymethyl)phenyl]methyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 122558265
5-[(3-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 65363801
1-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]-3-(6-chloro-3-pyridinyl)urea
CID 97451631
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97126067

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide (CID 126453267) is N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide is O=C1CN(C(=O)NCC[C@H]2CCCCN2Cc2ccccc2)CCCN1.
What is the InChIKey of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is GSWOEUSEPZIOKG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19-16-24(14-6-11-21-19)20(26)22-12-10-18-9-4-5-13-23(18)15-17-7-2-1-3-8-17/h1-3,7-8,18H,4-6,9-16H2,(H,21,25)(H,22,26)/t18-/m1/s1.
What are the key properties of N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide?
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-3-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 126453267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).