benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate

C15H22N2O3 — CID 125117285

IUPACbenzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
SMILESO=C(NC[C@@]1(O)CCCNCC1)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-14(20-11-13-5-2-1-3-6-13)17-12-15(19)7-4-9-16-10-8-15/h1-3,5-6,16,19H,4,7-12H2,(H,17,18)/t15-/m1/s1
InChIKeyWFNSIJPBNMYFGZ-OAHLLOKOSA-N
MW278.35 g/mol
LogP1.42
Rot. Bonds4

About benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate

benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate (PubChem CID 125117285) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
PubChem CID125117285
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
SMILESO=C(NC[C@@]1(O)CCCNCC1)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c18-14(20-11-13-5-2-1-3-6-13)17-12-15(19)7-4-9-16-10-8-15/h1-3,5-6,16,19H,4,7-12H2,(H,17,18)/t15-/m1/s1
InChIKeyWFNSIJPBNMYFGZ-OAHLLOKOSA-N
XLogP1.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate 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

methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
benzyl N-[(3-amino-1-hydroxycyclobutyl)methyl]carbamate
CID 168763151
benzyl N-[4-[4-(4-hydroxypiperidin-4-yl)phenyl]but-3-ynyl]carbamate
CID 170463505
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-(azepan-4-ylmethyl)carbamate;hydrochloride
CID 118798557
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
benzyl N-[(4-carbamoyl-1-bicyclo[2.2.2]octanyl)methyl]carbamate
CID 171157569
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
CID 124671693
benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
CID 103393492

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate (CID 125117285) is benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate is O=C(NC[C@@]1(O)CCCNCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate?
The InChIKey is WFNSIJPBNMYFGZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(20-11-13-5-2-1-3-6-13)17-12-15(19)7-4-9-16-10-8-15/h1-3,5-6,16,19H,4,7-12H2,(H,17,18)/t15-/m1/s1.
What are the key properties of benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate?
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate is sourced from PubChem (CID 125117285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).