N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride

C21H38ClN3O2 — CID 6603003

IUPACN-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
SMILESCN(C(=O)CN1CCC(NC(=O)C2CCCCC2)CC1)C1CCCCC1.Cl
InChIInChI=1S/C21H37N3O2.ClH/c1-23(19-10-6-3-7-11-19)20(25)16-24-14-12-18(13-15-24)22-21(26)17-8-4-2-5-9-17;/h17-19H,2-16H2,1H3,(H,22,26);1H
InChIKeyTYZQUVOWPQIBIX-UHFFFAOYSA-N
MW400.01 g/mol
LogP3.36
Rot. Bonds5

About N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride

N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 6603003) has the molecular formula C21H38ClN3O2 and a molecular weight of 400.01 g/mol. Its IUPAC name is N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID6603003
Molecular FormulaC21H38ClN3O2
Molecular Weight400.01 g/mol
Exact Mass399.27
IUPAC NameN-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
SMILESCN(C(=O)CN1CCC(NC(=O)C2CCCCC2)CC1)C1CCCCC1.Cl
InChIInChI=1S/C21H37N3O2.ClH/c1-23(19-10-6-3-7-11-19)20(25)16-24-14-12-18(13-15-24)22-21(26)17-8-4-2-5-9-17;/h17-19H,2-16H2,1H3,(H,22,26);1H
InChIKeyTYZQUVOWPQIBIX-UHFFFAOYSA-N
XLogP3.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.01
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride 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 N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride (CID 6603003) is N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride is CN(C(=O)CN1CCC(NC(=O)C2CCCCC2)CC1)C1CCCCC1.Cl.
What is the InChIKey of N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is TYZQUVOWPQIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2.ClH/c1-23(19-10-6-3-7-11-19)20(25)16-24-14-12-18(13-15-24)22-21(26)17-8-4-2-5-9-17;/h17-19H,2-16H2,1H3,(H,22,26);1H.
What are the key properties of N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride?
N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 400.01 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 6603003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).