N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C21H39ClN2O2 — CID 119805637

IUPACN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C21H38N2O2.ClH/c1-16-7-9-19(10-8-16)23(15-20-6-4-12-25-20)21(24)13-17(2)18-5-3-11-22-14-18;/h16-20,22H,3-15H2,1-2H3;1H
InChIKeyVFQXQDISVRSHMZ-UHFFFAOYSA-N
MW387.01 g/mol
LogP4.02
Rot. Bonds6

About N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119805637) has the molecular formula C21H39ClN2O2 and a molecular weight of 387.01 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119805637
Molecular FormulaC21H39ClN2O2
Molecular Weight387.01 g/mol
Exact Mass386.27
IUPAC NameN-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC1CCC(N(CC2CCCO2)C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C21H38N2O2.ClH/c1-16-7-9-19(10-8-16)23(15-20-6-4-12-25-20)21(24)13-17(2)18-5-3-11-22-14-18;/h16-20,22H,3-15H2,1-2H3;1H
InChIKeyVFQXQDISVRSHMZ-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.01
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119336171
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119805657
N-cyclopropyl-N-(2-hydroxyethyl)-3-piperidin-3-ylbutanamide
CID 81044178
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729700
N-cyclopropyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide
CID 81043582
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
CID 81048851
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
3-amino-N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)propanamide
CID 119336162
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119805637) is N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC1CCC(N(CC2CCCO2)C(=O)CC(C)C2CCCNC2)CC1.Cl.
What is the InChIKey of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VFQXQDISVRSHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O2.ClH/c1-16-7-9-19(10-8-16)23(15-20-6-4-12-25-20)21(24)13-17(2)18-5-3-11-22-14-18;/h16-20,22H,3-15H2,1-2H3;1H.
What are the key properties of N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(4-methylcyclohexyl)-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 387.01 g/mol, XLogP of 4.02, 6 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)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119805637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).