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

C18H33N3O2 — CID 110908516

IUPAC4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h15-17,22H,1-14H2,(H,19,23)
InChIKeyIDWYICXYFPGMKP-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.20
Rot. Bonds3

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

4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide (PubChem CID 110908516) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
PubChem CID110908516
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h15-17,22H,1-14H2,(H,19,23)
InChIKeyIDWYICXYFPGMKP-UHFFFAOYSA-N
XLogP2.20
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide (CID 110908516) is 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
The InChIKey is IDWYICXYFPGMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-17-8-6-16(7-9-17)19-18(23)21-12-10-20(11-13-21)14-15-4-2-1-3-5-15/h15-17,22H,1-14H2,(H,19,23).
What are the key properties of 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide?
4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-(4-hydroxycyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 110908516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).