3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide

C19H29N3O — CID 164904730

IUPAC3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCc2cccc(N3CCNCC3)c2)C1
InChIInChI=1S/C19H29N3O/c1-15-4-2-6-17(12-15)19(23)21-14-16-5-3-7-18(13-16)22-10-8-20-9-11-22/h3,5,7,13,15,17,20H,2,4,6,8-12,14H2,1H3,(H,21,23)
InChIKeyRYMBXUFYSHKPDS-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.54
Rot. Bonds4

About 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide

3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 164904730) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID164904730
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCC1CCCC(C(=O)NCc2cccc(N3CCNCC3)c2)C1
InChIInChI=1S/C19H29N3O/c1-15-4-2-6-17(12-15)19(23)21-14-16-5-3-7-18(13-16)22-10-8-20-9-11-22/h3,5,7,13,15,17,20H,2,4,6,8-12,14H2,1H3,(H,21,23)
InChIKeyRYMBXUFYSHKPDS-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane
CID 164904710
1-(3-piperazin-1-ylphenyl)propan-2-one
CID 123427717
(3R)-1-tert-butyl-5-oxo-N-[(3-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92613351
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-3-methylcyclohexane-1-carboxamide
CID 145471713
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide (CID 164904730) is 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide is CC1CCCC(C(=O)NCc2cccc(N3CCNCC3)c2)C1.
What is the InChIKey of 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is RYMBXUFYSHKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-4-2-6-17(12-15)19(23)21-14-16-5-3-7-18(13-16)22-10-8-20-9-11-22/h3,5,7,13,15,17,20H,2,4,6,8-12,14H2,1H3,(H,21,23).
What are the key properties of 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide?
3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 164904730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).