benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate

C22H25ClN2O3 — CID 108566597

IUPACbenzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C22H25ClN2O3/c23-19-9-6-17(7-10-19)8-11-21(26)25-14-12-20(13-15-25)24-22(27)28-16-18-4-2-1-3-5-18/h1-7,9-10,20H,8,11-16H2,(H,24,27)
InChIKeyPFXPUKXQZSISLX-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.19
Rot. Bonds6

About benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate

benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 108566597) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
PubChem CID108566597
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Namebenzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)OCc1ccccc1
InChIInChI=1S/C22H25ClN2O3/c23-19-9-6-17(7-10-19)8-11-21(26)25-14-12-20(13-15-25)24-22(27)28-16-18-4-2-1-3-5-18/h1-7,9-10,20H,8,11-16H2,(H,24,27)
InChIKeyPFXPUKXQZSISLX-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]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

2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566561
benzyl N-[1-(2-chloroacetyl)azepan-4-yl]carbamate
CID 156713841
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 46411290
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558340
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
CID 120986204
benzyl N-[1-(2-piperidin-4-ylacetyl)piperidin-4-yl]carbamate
CID 167462983

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate (CID 108566597) is benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is PFXPUKXQZSISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-19-9-6-17(7-10-19)8-11-21(26)25-14-12-20(13-15-25)24-22(27)28-16-18-4-2-1-3-5-18/h1-7,9-10,20H,8,11-16H2,(H,24,27).
What are the key properties of benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate?
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 400.91 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108566597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).