[2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate

C33H42ClN5O2 — CID 138618553

IUPAC[2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate
SMILESCNC(=O)OC1CCCC1C(Cn1ccnc1)(c1ccccc1)C1CCN(CC2CN(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C33H42ClN5O2/c1-35-32(40)41-31-9-5-8-30(31)33(23-38-19-16-36-24-38,26-6-3-2-4-7-26)27-14-17-37(18-15-27)20-25-21-39(22-25)29-12-10-28(34)11-13-29/h2-4,6-7,10-13,16,19,24-25,27,30-31H,5,8-9,14-15,17-18,20-23H2,1H3,(H,35,40)
InChIKeySALXHNZPHZHXHR-UHFFFAOYSA-N
MW576.19 g/mol
LogP5.85
Rot. Bonds9

About [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate

[2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate (PubChem CID 138618553) has the molecular formula C33H42ClN5O2 and a molecular weight of 576.19 g/mol. Its IUPAC name is [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate
PubChem CID138618553
Molecular FormulaC33H42ClN5O2
Molecular Weight576.19 g/mol
Exact Mass575.30
IUPAC Name[2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate
SMILESCNC(=O)OC1CCCC1C(Cn1ccnc1)(c1ccccc1)C1CCN(CC2CN(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C33H42ClN5O2/c1-35-32(40)41-31-9-5-8-30(31)33(23-38-19-16-36-24-38,26-6-3-2-4-7-26)27-14-17-37(18-15-27)20-25-21-39(22-25)29-12-10-28(34)11-13-29/h2-4,6-7,10-13,16,19,24-25,27,30-31H,5,8-9,14-15,17-18,20-23H2,1H3,(H,35,40)
InChIKeySALXHNZPHZHXHR-UHFFFAOYSA-N
XLogP5.85
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.19
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate?
The IUPAC name of [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate (CID 138618553) is [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate.
What is the SMILES notation for [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate?
The canonical SMILES for [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate is CNC(=O)OC1CCCC1C(Cn1ccnc1)(c1ccccc1)C1CCN(CC2CN(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate?
The InChIKey is SALXHNZPHZHXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42ClN5O2/c1-35-32(40)41-31-9-5-8-30(31)33(23-38-19-16-36-24-38,26-6-3-2-4-7-26)27-14-17-37(18-15-27)20-25-21-39(22-25)29-12-10-28(34)11-13-29/h2-4,6-7,10-13,16,19,24-25,27,30-31H,5,8-9,14-15,17-18,20-23H2,1H3,(H,35,40).
What are the key properties of [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate?
[2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate has a molecular weight of 576.19 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[1-[[1-(4-chlorophenyl)azetidin-3-yl]methyl]piperidin-4-yl]-2-imidazol-1-yl-1-phenylethyl]cyclopentyl] N-methylcarbamate is sourced from PubChem (CID 138618553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).