N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide

C22H35N2O2+ — CID 6964229

IUPACN-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
SMILESO=C(C1CC[NH+](CC2CCCCC2)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C22H34N2O2/c25-16-15-24(18-20-9-5-2-6-10-20)22(26)21-11-13-23(14-12-21)17-19-7-3-1-4-8-19/h2,5-6,9-10,19,21,25H,1,3-4,7-8,11-18H2/p+1
InChIKeyRPOMVRBWEKXBIK-UHFFFAOYSA-O
MW359.53 g/mol
LogP1.88
Rot. Bonds7

About N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide

N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide (PubChem CID 6964229) has the molecular formula C22H35N2O2+ and a molecular weight of 359.53 g/mol. Its IUPAC name is N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
PubChem CID6964229
Molecular FormulaC22H35N2O2+
Molecular Weight359.53 g/mol
Exact Mass359.27
IUPAC NameN-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
SMILESO=C(C1CC[NH+](CC2CCCCC2)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C22H34N2O2/c25-16-15-24(18-20-9-5-2-6-10-20)22(26)21-11-13-23(14-12-21)17-19-7-3-1-4-8-19/h2,5-6,9-10,19,21,25H,1,3-4,7-8,11-18H2/p+1
InChIKeyRPOMVRBWEKXBIK-UHFFFAOYSA-O
XLogP1.88
TPSA44.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.53
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-(2-phenylethyl)piperidin-1-ium-4-carboxamide
CID 7299697
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
CID 108912537
N-(3-amino-3-oxopropyl)-N-benzyl-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide
CID 60619843
2-[benzyl-[1-[(4-ethylphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]ethyl-dimethylazanium
CID 7317511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide?
The IUPAC name of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide (CID 6964229) is N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide is O=C(C1CC[NH+](CC2CCCCC2)CC1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide?
The InChIKey is RPOMVRBWEKXBIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H34N2O2/c25-16-15-24(18-20-9-5-2-6-10-20)22(26)21-11-13-23(14-12-21)17-19-7-3-1-4-8-19/h2,5-6,9-10,19,21,25H,1,3-4,7-8,11-18H2/p+1.
What are the key properties of N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide?
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide has a molecular weight of 359.53 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 6964229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).