N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride

C15H30ClN3O — CID 120849563

IUPACN-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)NC1CCC(N(C)CC2CCNCC2)CC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-12(19)17-14-3-5-15(6-4-14)18(2)11-13-7-9-16-10-8-13;/h13-16H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyZHRQPBQIFSDXDA-UHFFFAOYSA-N
MW303.88 g/mol
LogP1.79
Rot. Bonds4

About N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride

N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride (PubChem CID 120849563) has the molecular formula C15H30ClN3O and a molecular weight of 303.88 g/mol. Its IUPAC name is N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride
PubChem CID120849563
Molecular FormulaC15H30ClN3O
Molecular Weight303.88 g/mol
Exact Mass303.21
IUPAC NameN-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride
SMILESCC(=O)NC1CCC(N(C)CC2CCNCC2)CC1.Cl
InChIInChI=1S/C15H29N3O.ClH/c1-12(19)17-14-3-5-15(6-4-14)18(2)11-13-7-9-16-10-8-13;/h13-16H,3-11H2,1-2H3,(H,17,19);1H
InChIKeyZHRQPBQIFSDXDA-UHFFFAOYSA-N
XLogP1.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[methyl(piperidin-3-ylmethyl)amino]cyclohexyl]acetamide
CID 120849562
N-[4-[ethyl(methyl)amino]cyclohexyl]acetamide
CID 134516968
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
N-methyl-N-(piperidin-4-ylmethyl)acetamide;hydrochloride
CID 118998343
N-methyl-1,1-dioxo-N-(piperidin-4-ylmethyl)thian-4-amine
CID 79707253
N-methyl-N-(piperidin-4-ylmethyl)azetidin-3-amine
CID 131110831
N-(cyclopropylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913095
N-methyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79708298
N-cyclopentyl-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79717424
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
N-cyclopropyl-N-(piperidin-4-ylmethyl)propanamide;hydrochloride
CID 126511804
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride (CID 120849563) is N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride is CC(=O)NC1CCC(N(C)CC2CCNCC2)CC1.Cl.
What is the InChIKey of N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride?
The InChIKey is ZHRQPBQIFSDXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.ClH/c1-12(19)17-14-3-5-15(6-4-14)18(2)11-13-7-9-16-10-8-13;/h13-16H,3-11H2,1-2H3,(H,17,19);1H.
What are the key properties of N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride?
N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(piperidin-4-ylmethyl)amino]cyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 120849563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).