N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide

C18H27N3O2 — CID 757324

IUPACN-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)18(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyDZQLGGPBOAWSRD-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.86
Rot. Bonds3

About N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 757324) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID757324
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)18(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22)
InChIKeyDZQLGGPBOAWSRD-UHFFFAOYSA-N
XLogP2.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 757324) is N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is DZQLGGPBOAWSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-23-17-9-7-16(8-10-17)20-11-13-21(14-12-20)18(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-14H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 757324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).