2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide

C13H26N4O2 — CID 128834356

IUPAC2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
SMILESCC1NCCN(C(=O)NCC2CNCCCO2)C1C
InChIInChI=1S/C13H26N4O2/c1-10-11(2)17(6-5-15-10)13(18)16-9-12-8-14-4-3-7-19-12/h10-12,14-15H,3-9H2,1-2H3,(H,16,18)
InChIKeyDFEMGRQAMUUCNL-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.24
Rot. Bonds2

About 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide

2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 128834356) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID128834356
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
SMILESCC1NCCN(C(=O)NCC2CNCCCO2)C1C
InChIInChI=1S/C13H26N4O2/c1-10-11(2)17(6-5-15-10)13(18)16-9-12-8-14-4-3-7-19-12/h10-12,14-15H,3-9H2,1-2H3,(H,16,18)
InChIKeyDFEMGRQAMUUCNL-UHFFFAOYSA-N
XLogP-0.24
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-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

4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide
CID 128834260
1-(2,3-dimethylpiperazin-1-yl)-2-(oxan-2-yl)ethanone;hydrochloride
CID 120570972
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 120570714
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(2S,3S)-N-(1,4-oxazepan-2-ylmethyl)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 128882661
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
4-(2-cyano-3-fluorophenyl)-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
CID 128834281
2,2-dimethyl-N-(1,4-oxazepan-2-ylmethyl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 128834459
4-bromo-2,5-dimethyl-N-(1,4-oxazepan-2-ylmethyl)benzamide
CID 128876488
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
1-[(1R,3S)-3-cyanocyclopentyl]-3-(1,4-oxazepan-2-ylmethyl)urea
CID 128888612

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide (CID 128834356) is 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide is CC1NCCN(C(=O)NCC2CNCCCO2)C1C.
What is the InChIKey of 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is DFEMGRQAMUUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10-11(2)17(6-5-15-10)13(18)16-9-12-8-14-4-3-7-19-12/h10-12,14-15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide?
2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of -0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 128834356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).