N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C21H31N3O3 — CID 109147450

IUPACN-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-15-4-9-19(27-3)18(14-15)22-20(25)16-5-7-17(8-6-16)21(26)24-12-10-23(2)11-13-24/h4,9,14,16-17H,5-8,10-13H2,1-3H3,(H,22,25)
InChIKeyHQFLHBXWQRBIOT-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.52
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147450) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147450
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-15-4-9-19(27-3)18(14-15)22-20(25)16-5-7-17(8-6-16)21(26)24-12-10-23(2)11-13-24/h4,9,14,16-17H,5-8,10-13H2,1-3H3,(H,22,25)
InChIKeyHQFLHBXWQRBIOT-UHFFFAOYSA-N
XLogP2.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147444
1-N-cyclopropyl-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144779
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 109150023
N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497512
1-N-(2-methoxy-5-methylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144583
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147450) is N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is COc1ccc(C)cc1NC(=O)C1CCC(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is HQFLHBXWQRBIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15-4-9-19(27-3)18(14-15)22-20(25)16-5-7-17(8-6-16)21(26)24-12-10-23(2)11-13-24/h4,9,14,16-17H,5-8,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).