N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide

C22H33N3O2 — CID 109147543

IUPACN-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)N(CC)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-23-14-16-24(17-15-23)21(26)18-10-12-19(13-11-18)22(27)25(4-2)20-8-6-5-7-9-20/h5-9,18-19H,3-4,10-17H2,1-2H3
InChIKeyUTSIWLUHSZOCJD-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.01
Rot. Bonds5

About N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide

N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide (PubChem CID 109147543) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
PubChem CID109147543
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
SMILESCCN1CCN(C(=O)C2CCC(C(=O)N(CC)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H33N3O2/c1-3-23-14-16-24(17-15-23)21(26)18-10-12-19(13-11-18)22(27)25(4-2)20-8-6-5-7-9-20/h5-9,18-19H,3-4,10-17H2,1-2H3
InChIKeyUTSIWLUHSZOCJD-UHFFFAOYSA-N
XLogP3.01
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide (CID 109147543) is N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide is CCN1CCN(C(=O)C2CCC(C(=O)N(CC)c3ccccc3)CC2)CC1.
What is the InChIKey of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
The InChIKey is UTSIWLUHSZOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-23-14-16-24(17-15-23)21(26)18-10-12-19(13-11-18)22(27)25(4-2)20-8-6-5-7-9-20/h5-9,18-19H,3-4,10-17H2,1-2H3.
What are the key properties of N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide?
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 109147543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).