4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide

C19H36N4O2 — CID 46381831

IUPAC4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESCCC(C)NC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H36N4O2/c1-3-15(2)21-18(24)20-12-9-16-10-13-23(14-11-16)19(25)22-17-7-5-4-6-8-17/h15-17H,3-14H2,1-2H3,(H,22,25)(H2,20,21,24)
InChIKeyBXOAMEVQLIHRGY-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.23
Rot. Bonds6

About 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide

4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 46381831) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID46381831
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESCCC(C)NC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H36N4O2/c1-3-15(2)21-18(24)20-12-9-16-10-13-23(14-11-16)19(25)22-17-7-5-4-6-8-17/h15-17H,3-14H2,1-2H3,(H,22,25)(H2,20,21,24)
InChIKeyBXOAMEVQLIHRGY-UHFFFAOYSA-N
XLogP3.23
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide (CID 46381831) is 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide is CCC(C)NC(=O)NCCC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is BXOAMEVQLIHRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-3-15(2)21-18(24)20-12-9-16-10-13-23(14-11-16)19(25)22-17-7-5-4-6-8-17/h15-17H,3-14H2,1-2H3,(H,22,25)(H2,20,21,24).
What are the key properties of 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide?
4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 352.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butan-2-ylcarbamoylamino)ethyl]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 46381831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).