4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide

C19H30N4O — CID 126777645

IUPAC4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c(C)n1
InChIInChI=1S/C19H30N4O/c1-15-8-9-18(16(2)20-15)21-19(24)23-12-10-22(11-13-23)14-17-6-4-3-5-7-17/h8-9,17H,3-7,10-14H2,1-2H3,(H,21,24)
InChIKeyWLONACZEPIYWAW-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.43
Rot. Bonds3

About 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide

4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 126777645) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
PubChem CID126777645
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c(C)n1
InChIInChI=1S/C19H30N4O/c1-15-8-9-18(16(2)20-15)21-19(24)23-12-10-22(11-13-23)14-17-6-4-3-5-7-17/h8-9,17H,3-7,10-14H2,1-2H3,(H,21,24)
InChIKeyWLONACZEPIYWAW-UHFFFAOYSA-N
XLogP3.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
4-(azepan-1-ylmethyl)-N-(3-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 20907587
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-[2-(dimethylamino)-6-methyl-3-pyridinyl]piperidine-1-carboxamide
CID 166256145
N-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 166228625
N-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
4-(cyclopropylmethyl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 47071641
4-(cyclohexylmethyl)-N-[(2-methyl-1,3-oxazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 128696754
4-(azepan-1-ylmethyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 47041657
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
N-(3-chloro-2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide
CID 97284146

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide (CID 126777645) is 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(CC3CCCCC3)CC2)c(C)n1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is WLONACZEPIYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-8-9-18(16(2)20-15)21-19(24)23-12-10-22(11-13-23)14-17-6-4-3-5-7-17/h8-9,17H,3-7,10-14H2,1-2H3,(H,21,24).
What are the key properties of 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide?
4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-(2,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 126777645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).