N,4-dicyclohexylpiperazine-1-carboxamide

C17H31N3O — CID 1247123

IUPACN,4-dicyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c21-17(18-15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,21)
InChIKeyLRAUBOSEUOPEDA-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.98
Rot. Bonds2

About N,4-dicyclohexylpiperazine-1-carboxamide

N,4-dicyclohexylpiperazine-1-carboxamide (PubChem CID 1247123) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N,4-dicyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-dicyclohexylpiperazine-1-carboxamide
PubChem CID1247123
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN,4-dicyclohexylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O/c21-17(18-15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,21)
InChIKeyLRAUBOSEUOPEDA-UHFFFAOYSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dicyclohexylpiperazine-1-carboxamide?
The IUPAC name of N,4-dicyclohexylpiperazine-1-carboxamide (CID 1247123) is N,4-dicyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for N,4-dicyclohexylpiperazine-1-carboxamide?
The canonical SMILES for N,4-dicyclohexylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of N,4-dicyclohexylpiperazine-1-carboxamide?
The InChIKey is LRAUBOSEUOPEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-17(18-15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,21).
What are the key properties of N,4-dicyclohexylpiperazine-1-carboxamide?
N,4-dicyclohexylpiperazine-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dicyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 1247123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).