N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide

C19H27N3O2 — CID 4943642

IUPACN-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-5-6-10-17(16)20-18(23)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,23)
InChIKeyFEOCFTYCBHLUAB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.59
Rot. Bonds3

About N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide

N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide (PubChem CID 4943642) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
PubChem CID4943642
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
SMILESCN1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-5-6-10-17(16)20-18(23)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,23)
InChIKeyFEOCFTYCBHLUAB-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
N-[2-(cyclohexylcarbamoyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970623
3-cyclohexyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 4934499
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 4943816

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide (CID 4943642) is N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide is CN1CCN(C(=O)c2ccccc2NC(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
The InChIKey is FEOCFTYCBHLUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-11-13-22(14-12-21)19(24)16-9-5-6-10-17(16)20-18(23)15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide?
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 4943642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).