N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

C19H29N3O — CID 6469954

IUPACN-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2C)cc1
InChIInChI=1S/C19H29N3O/c1-15-8-10-18(11-9-15)22-13-12-21(14-16(22)2)19(23)20-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,20,23)
InChIKeyRKTQKCUBSGHNFS-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.55
Rot. Bonds2

About N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 6469954) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID6469954
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2C)cc1
InChIInChI=1S/C19H29N3O/c1-15-8-10-18(11-9-15)22-13-12-21(14-16(22)2)19(23)20-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,20,23)
InChIKeyRKTQKCUBSGHNFS-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide (CID 6469954) is N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2C)cc1.
What is the InChIKey of N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is RKTQKCUBSGHNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-8-10-18(11-9-15)22-13-12-21(14-16(22)2)19(23)20-17-6-4-3-5-7-17/h8-11,16-17H,3-7,12-14H2,1-2H3,(H,20,23).
What are the key properties of N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide?
N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6469954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).