4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide

C15H26FN3O2 — CID 124886345

IUPAC4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(C(=O)[C@H](F)CC2CCCCC2)CC1
InChIInChI=1S/C15H26FN3O2/c16-13(11-12-5-2-1-3-6-12)14(20)18-7-4-8-19(10-9-18)15(17)21/h12-13H,1-11H2,(H2,17,21)/t13-/m1/s1
InChIKeyCTUWWEOWJUPFGX-CYBMUJFWSA-N
MW299.39 g/mol
LogP1.91
Rot. Bonds3

About 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide

4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide (PubChem CID 124886345) has the molecular formula C15H26FN3O2 and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide
PubChem CID124886345
Molecular FormulaC15H26FN3O2
Molecular Weight299.39 g/mol
Exact Mass299.20
IUPAC Name4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide
SMILESNC(=O)N1CCCN(C(=O)[C@H](F)CC2CCCCC2)CC1
InChIInChI=1S/C15H26FN3O2/c16-13(11-12-5-2-1-3-6-12)14(20)18-7-4-8-19(10-9-18)15(17)21/h12-13H,1-11H2,(H2,17,21)/t13-/m1/s1
InChIKeyCTUWWEOWJUPFGX-CYBMUJFWSA-N
XLogP1.91
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-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

4-(3-cyclopentylpropanoyl)-1,4-diazepane-1-carboxamide
CID 143680696
(2S)-3-cyclohexyl-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 59948409
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
2-(aminomethyl)-3-cyclopentyl-1-pyrrolidin-1-ylpropan-1-one
CID 62314874
1-(2-amino-3-cyclohexylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 138041082
[(2S)-3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl] formate
CID 141112484
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
(2S)-3-cyclohexyl-2-hydroxy-1-morpholin-4-ylpropan-1-one
CID 59949122
(3S)-3-amino-4-cyclohexyl-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 86741929
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide (CID 124886345) is 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide is NC(=O)N1CCCN(C(=O)[C@H](F)CC2CCCCC2)CC1.
What is the InChIKey of 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide?
The InChIKey is CTUWWEOWJUPFGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26FN3O2/c16-13(11-12-5-2-1-3-6-12)14(20)18-7-4-8-19(10-9-18)15(17)21/h12-13H,1-11H2,(H2,17,21)/t13-/m1/s1.
What are the key properties of 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide?
4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide has a molecular weight of 299.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 124886345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).