N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C21H29N3O4 — CID 109147660

IUPACN-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C21H29N3O4/c1-2-28-19-6-4-3-5-18(19)22-20(26)16-7-9-17(10-8-16)21(27)24-13-11-23(15-25)12-14-24/h3-6,15-17H,2,7-14H2,1H3,(H,22,26)
InChIKeyIZHXWWMGCPMSPG-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.13
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109147660) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109147660
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C21H29N3O4/c1-2-28-19-6-4-3-5-18(19)22-20(26)16-7-9-17(10-8-16)21(27)24-13-11-23(15-25)12-14-24/h3-6,15-17H,2,7-14H2,1H3,(H,22,26)
InChIKeyIZHXWWMGCPMSPG-UHFFFAOYSA-N
XLogP2.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
N-(2,6-diethylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147643
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
N-(2,4-difluorophenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147669
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305
4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109147660) is N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is CCOc1ccccc1NC(=O)C1CCC(C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is IZHXWWMGCPMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-2-28-19-6-4-3-5-18(19)22-20(26)16-7-9-17(10-8-16)21(27)24-13-11-23(15-25)12-14-24/h3-6,15-17H,2,7-14H2,1H3,(H,22,26).
What are the key properties of N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).