N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride

C18H33ClN2O2 — CID 119336171

IUPACN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)C2CCCNC2)CC1.Cl
InChIInChI=1S/C18H32N2O2.ClH/c1-14-6-8-16(9-7-14)20(13-17-5-3-11-22-17)18(21)15-4-2-10-19-12-15;/h14-17,19H,2-13H2,1H3;1H
InChIKeyBMRSHIYGZSJTPF-UHFFFAOYSA-N
MW344.93 g/mol
LogP2.99
Rot. Bonds4

About N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride

N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119336171) has the molecular formula C18H33ClN2O2 and a molecular weight of 344.93 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119336171
Molecular FormulaC18H33ClN2O2
Molecular Weight344.93 g/mol
Exact Mass344.22
IUPAC NameN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)C2CCCNC2)CC1.Cl
InChIInChI=1S/C18H32N2O2.ClH/c1-14-6-8-16(9-7-14)20(13-17-5-3-11-22-17)18(21)15-4-2-10-19-12-15;/h14-17,19H,2-13H2,1H3;1H
InChIKeyBMRSHIYGZSJTPF-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.93
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;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

N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119805657
N-cyclopentyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 119336156
(3R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81140626
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805637
(3R)-N-butyl-N-cyclopropylpiperidine-3-carboxamide
CID 81129307
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197
(3S)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123267
(3R)-N-cyclopentyl-N-ethylpiperidine-3-carboxamide
CID 81123268
2-[cyclopropyl-[(3R)-piperidine-3-carbonyl]amino]acetic acid
CID 81141373
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
N-cyclopropyl-N-(piperidin-3-ylmethyl)oxolane-2-carboxamide
CID 106628691

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride (CID 119336171) is N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is CC1CCC(N(CC2CCCO2)C(=O)C2CCCNC2)CC1.Cl.
What is the InChIKey of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is BMRSHIYGZSJTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.ClH/c1-14-6-8-16(9-7-14)20(13-17-5-3-11-22-17)18(21)15-4-2-10-19-12-15;/h14-17,19H,2-13H2,1H3;1H.
What are the key properties of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride?
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 344.93 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119336171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).