N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide

C13H19N3O2 — CID 74251214

IUPACN-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCNCC(O)C1
InChIInChI=1S/C13H19N3O2/c17-12-9-14-6-7-16(10-12)13(18)15-8-11-4-2-1-3-5-11/h1-5,12,14,17H,6-10H2,(H,15,18)
InChIKeyPLWRKSTVTHJZMM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.16
Rot. Bonds2

About N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide

N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide (PubChem CID 74251214) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
PubChem CID74251214
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCNCC(O)C1
InChIInChI=1S/C13H19N3O2/c17-12-9-14-6-7-16(10-12)13(18)15-8-11-4-2-1-3-5-11/h1-5,12,14,17H,6-10H2,(H,15,18)
InChIKeyPLWRKSTVTHJZMM-UHFFFAOYSA-N
XLogP0.16
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzylazonane-1-carboxamide
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N-benzyl-4-methylpiperidine-1-carboxamide
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N-benzyl-3-methoxypyrrolidine-1-carboxamide
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4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
4-(benzylcarbamoyl)-2-tert-butylpiperazine-1-carboxylic acid
CID 141407714
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide?
The IUPAC name of N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide (CID 74251214) is N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide is O=C(NCc1ccccc1)N1CCNCC(O)C1.
What is the InChIKey of N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide?
The InChIKey is PLWRKSTVTHJZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-9-14-6-7-16(10-12)13(18)15-8-11-4-2-1-3-5-11/h1-5,12,14,17H,6-10H2,(H,15,18).
What are the key properties of N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide?
N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-hydroxy-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 74251214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).