N-methyl-1,4-diazepane-1-carboxamide

C7H15N3O — CID 23090547

IUPACN-methyl-1,4-diazepane-1-carboxamide
SMILESCNC(=O)N1CCCNCC1
InChIInChI=1S/C7H15N3O/c1-8-7(11)10-5-2-3-9-4-6-10/h9H,2-6H2,1H3,(H,8,11)
InChIKeyRAJSFCCPOCJHSF-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.38
Rot. Bonds

About N-methyl-1,4-diazepane-1-carboxamide

N-methyl-1,4-diazepane-1-carboxamide (PubChem CID 23090547) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1,4-diazepane-1-carboxamide
PubChem CID23090547
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN-methyl-1,4-diazepane-1-carboxamide
SMILESCNC(=O)N1CCCNCC1
InChIInChI=1S/C7H15N3O/c1-8-7(11)10-5-2-3-9-4-6-10/h9H,2-6H2,1H3,(H,8,11)
InChIKeyRAJSFCCPOCJHSF-UHFFFAOYSA-N
XLogP-0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 23090334
1,4-Diazepane-1-carboxamide
CID 16772094
4-acetyl-N-propyl-1,4-diazepane-1-carboxamide
CID 53016510
N-butan-2-yl-4-cyclopropyl-1,4-diazepane-1-carboxamide
CID 71935251
1-[3-(Methylamino)propyl]imidazolidin-2-one
CID 22381192
3-(3-Aminopropyl)-1,1-dimethylurea
CID 57190524
4-methyl-N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 115584037
N-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 116012587
4-Methyl-1,4-diazepane-1-carboxamide
CID 14799482
1-Methyl-1,3-diazepan-2-one
CID 17997323
1,4-Diazepan-1-yl(pyrrolidin-1-yl)methanone
CID 19704859
1-(2-Aminoethyl)-1,3-diazepan-2-one
CID 20351980

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-methyl-1,4-diazepane-1-carboxamide (CID 23090547) is N-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-methyl-1,4-diazepane-1-carboxamide is CNC(=O)N1CCCNCC1.
What is the InChIKey of N-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is RAJSFCCPOCJHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-8-7(11)10-5-2-3-9-4-6-10/h9H,2-6H2,1H3,(H,8,11).
What are the key properties of N-methyl-1,4-diazepane-1-carboxamide?
N-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 157.22 g/mol, XLogP of -0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 23090547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).