4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide

C21H31N3O3 — CID 86851308

IUPAC4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-16-19-10-6-5-9-18(19)15-22-21(26)24-13-11-23(12-14-24)20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,22,26)
InChIKeyDAOBUIBOEKEWBT-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.77
Rot. Bonds5

About 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide

4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 86851308) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID86851308
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-27-16-19-10-6-5-9-18(19)15-22-21(26)24-13-11-23(12-14-24)20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,22,26)
InChIKeyDAOBUIBOEKEWBT-UHFFFAOYSA-N
XLogP2.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878
(3R)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-1-carboxamide
CID 95641004
4-(hydroxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 110896115
N-[[2-(methoxymethyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 42958139
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
(1R)-N-[[2-(methoxymethyl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 32601690
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide (CID 86851308) is 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide is COCc1ccccc1CNC(=O)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is DAOBUIBOEKEWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-27-16-19-10-6-5-9-18(19)15-22-21(26)24-13-11-23(12-14-24)20(25)17-7-3-2-4-8-17/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,22,26).
What are the key properties of 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide?
4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86851308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).