[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride

C22H35ClN2O3 — CID 24836212

IUPAC[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride
SMILESCCOc1ccccc1NC(=O)OC1CCCCCC1CN1CCCCC1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-2-26-21-14-8-7-12-19(21)23-22(25)27-20-13-6-3-5-11-18(20)17-24-15-9-4-10-16-24;/h7-8,12,14,18,20H,2-6,9-11,13,15-17H2,1H3,(H,23,25);1H
InChIKeyPZGWNPRQPOJOEN-UHFFFAOYSA-N
MW410.99 g/mol
LogP5.49
Rot. Bonds6

About [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride

[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride (PubChem CID 24836212) has the molecular formula C22H35ClN2O3 and a molecular weight of 410.99 g/mol. Its IUPAC name is [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride
PubChem CID24836212
Molecular FormulaC22H35ClN2O3
Molecular Weight410.99 g/mol
Exact Mass410.23
IUPAC Name[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride
SMILESCCOc1ccccc1NC(=O)OC1CCCCCC1CN1CCCCC1.Cl
InChIInChI=1S/C22H34N2O3.ClH/c1-2-26-21-14-8-7-12-19(21)23-22(25)27-20-13-6-3-5-11-18(20)17-24-15-9-4-10-16-24;/h7-8,12,14,18,20H,2-6,9-11,13,15-17H2,1H3,(H,23,25);1H
InChIKeyPZGWNPRQPOJOEN-UHFFFAOYSA-N
XLogP5.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride 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-(piperidin-1-ylmethyl)cycloheptyl] N-(2-butoxyphenyl)carbamate;hydrochloride
CID 24836161
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
CID 44724516
[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-hexoxyphenyl)carbamate
CID 11741858
[(1S,2R)-2-[(dimethylamino)methyl]cycloheptyl] N-(2-octoxyphenyl)carbamate
CID 53493555
[(1R,2R)-2-[(dimethylamino)methyl]cycloheptyl] N-(2-heptoxyphenyl)carbamate
CID 53493700
[2-[(dimethylamino)methyl]cyclohexyl] N-(2-heptoxyphenyl)carbamate
CID 23277001
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
2-amino-N-(2-ethoxyphenyl)cyclohexane-1-carboxamide
CID 64817550
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride?
The IUPAC name of [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride (CID 24836212) is [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride.
What is the SMILES notation for [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride?
The canonical SMILES for [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride is CCOc1ccccc1NC(=O)OC1CCCCCC1CN1CCCCC1.Cl.
What is the InChIKey of [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride?
The InChIKey is PZGWNPRQPOJOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3.ClH/c1-2-26-21-14-8-7-12-19(21)23-22(25)27-20-13-6-3-5-11-18(20)17-24-15-9-4-10-16-24;/h7-8,12,14,18,20H,2-6,9-11,13,15-17H2,1H3,(H,23,25);1H.
What are the key properties of [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride?
[2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride has a molecular weight of 410.99 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-ethoxyphenyl)carbamate;hydrochloride is sourced from PubChem (CID 24836212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).