1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H32N2O2 — CID 646023

IUPAC1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h15-17H,1-14H2,(H,19,21)
InChIKeyFDJDGIBDWRIHHA-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.57
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 646023) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID646023
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h15-17H,1-14H2,(H,19,21)
InChIKeyFDJDGIBDWRIHHA-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 646023) is 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is FDJDGIBDWRIHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h15-17H,1-14H2,(H,19,21).
What are the key properties of 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 646023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).