N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide

C18H33N3O2 — CID 111384868

IUPACN-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC1CCC(N2CCN(C(=O)NC3CCC(O)CC3)CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-14-2-6-16(7-3-14)20-10-12-21(13-11-20)18(23)19-15-4-8-17(22)9-5-15/h14-17,22H,2-13H2,1H3,(H,19,23)
InChIKeyPVNUAARXFZNCJH-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.20
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide

N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide (PubChem CID 111384868) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide
PubChem CID111384868
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide
SMILESCC1CCC(N2CCN(C(=O)NC3CCC(O)CC3)CC2)CC1
InChIInChI=1S/C18H33N3O2/c1-14-2-6-16(7-3-14)20-10-12-21(13-11-20)18(23)19-15-4-8-17(22)9-5-15/h14-17,22H,2-13H2,1H3,(H,19,23)
InChIKeyPVNUAARXFZNCJH-UHFFFAOYSA-N
XLogP2.20
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide (CID 111384868) is N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide is CC1CCC(N2CCN(C(=O)NC3CCC(O)CC3)CC2)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide?
The InChIKey is PVNUAARXFZNCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14-2-6-16(7-3-14)20-10-12-21(13-11-20)18(23)19-15-4-8-17(22)9-5-15/h14-17,22H,2-13H2,1H3,(H,19,23).
What are the key properties of N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide?
N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-4-(4-methylcyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 111384868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).