2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C17H23ClN6O2 — CID 3960724

IUPAC2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H23ClN6O2/c1-23(2)17(9-3-4-10-17)15-20-21-22-24(15)11-12-26-16(25)19-14-7-5-13(18)6-8-14/h5-8H,3-4,9-12H2,1-2H3,(H,19,25)
InChIKeyLCUHMWXOIVJZGT-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.91
Rot. Bonds6

About 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3960724) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3960724
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC Name2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H23ClN6O2/c1-23(2)17(9-3-4-10-17)15-20-21-22-24(15)11-12-26-16(25)19-14-7-5-13(18)6-8-14/h5-8H,3-4,9-12H2,1-2H3,(H,19,25)
InChIKeyLCUHMWXOIVJZGT-UHFFFAOYSA-N
XLogP2.91
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)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-[5-[1-(benzenesulfonamido)cyclohexyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 3569813
2-[5-[1-[acetyl(methyl)amino]cyclopentyl]tetrazol-1-yl]ethyl N-naphthalen-1-ylcarbamate
CID 2945826
(1-aminocyclopentyl)methyl N-(4-chlorophenyl)carbamate
CID 79337548
2-[benzyl(methyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 24836409
2-[(4-chlorophenyl)carbamoyloxy]ethyl-[1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazaspiro[4.5]decan-4-ylidene]azanium
CID 7073479
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
2-[5-[4-methoxy-3-[(3R)-oxolan-3-yl]oxyphenyl]pyrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
CID 11510860
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
1-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]cyclohexane-1-carboxamide
CID 100781335

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 3960724) is 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is CN(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is LCUHMWXOIVJZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O2/c1-23(2)17(9-3-4-10-17)15-20-21-22-24(15)11-12-26-16(25)19-14-7-5-13(18)6-8-14/h5-8H,3-4,9-12H2,1-2H3,(H,19,25).
What are the key properties of 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 378.86 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(dimethylamino)cyclopentyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).