N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide

C22H33N3O2 — CID 109146245

IUPACN-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCN(C(=O)C2CCC(C(=O)N(C)CCc3ccncc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-9-15-25(16-10-17)22(27)20-5-3-19(4-6-20)21(26)24(2)14-11-18-7-12-23-13-8-18/h7-8,12-13,17,19-20H,3-6,9-11,14-16H2,1-2H3
InChIKeyRZVJAJSCCPPYHZ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.15
Rot. Bonds5

About N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide

N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 109146245) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID109146245
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
SMILESCC1CCN(C(=O)C2CCC(C(=O)N(C)CCc3ccncc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-9-15-25(16-10-17)22(27)20-5-3-19(4-6-20)21(26)24(2)14-11-18-7-12-23-13-8-18/h7-8,12-13,17,19-20H,3-6,9-11,14-16H2,1-2H3
InChIKeyRZVJAJSCCPPYHZ-UHFFFAOYSA-N
XLogP3.15
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N-methyl-1-[2-(3-methylphenyl)acetyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 113004823
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 135193668
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide (CID 109146245) is N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide is CC1CCN(C(=O)C2CCC(C(=O)N(C)CCc3ccncc3)CC2)CC1.
What is the InChIKey of N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is RZVJAJSCCPPYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-9-15-25(16-10-17)22(27)20-5-3-19(4-6-20)21(26)24(2)14-11-18-7-12-23-13-8-18/h7-8,12-13,17,19-20H,3-6,9-11,14-16H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide?
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109146245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).