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

C12H23N3O — CID 17180342

IUPACN-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide
SMILESCN1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-7-4-8-15(10-9-14)12(16)13-11-5-2-3-6-11/h11H,2-10H2,1H3,(H,13,16)
InChIKeyIIRSWVCJJMJKKT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.28
Rot. Bonds1

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

N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide (PubChem CID 17180342) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide
PubChem CID17180342
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide
SMILESCN1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-14-7-4-8-15(10-9-14)12(16)13-11-5-2-3-6-11/h11H,2-10H2,1H3,(H,13,16)
InChIKeyIIRSWVCJJMJKKT-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 23090334
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
N-Propyl-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 110196372
3,3-Dimethyl-1-((1-methylpyrrolidin-2-yl)methyl)urea
CID 110470360
N-(Propan-2-YL)-2-[(pyrrolidin-1-YL)methyl]azepane-1-carboxamide
CID 110196371
1-Cyclopentyl-3-[2-[cyclopropyl(ethyl)amino]ethyl]urea
CID 53553549
1-[2-[Cyclopentyl(methyl)amino]ethyl]-3-propan-2-ylurea
CID 56826772
N-butan-2-yl-4-cyclopropyl-1,4-diazepane-1-carboxamide
CID 71935251
1-[(3S)-1-cycloheptylpyrrolidin-3-yl]-3-ethylurea
CID 97028934
1,1-diethyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 97786807
4-ethyl-N-[(1S,2R)-2-fluorocyclopentyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 128619982
(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 164633952

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide (CID 17180342) is N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide is CN1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide?
The InChIKey is IIRSWVCJJMJKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-14-7-4-8-15(10-9-14)12(16)13-11-5-2-3-6-11/h11H,2-10H2,1H3,(H,13,16).
What are the key properties of N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 17180342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).