N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide

C20H36N4O3 — CID 46032280

IUPACN-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H36N4O3/c1-4-21-20(27)24-12-8-16(9-13-24)18(22-17(25)14-15(2)3)19(26)23-10-6-5-7-11-23/h15-16,18H,4-14H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyLDCLHRUKWPSYCA-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.97
Rot. Bonds6

About N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide

N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide (PubChem CID 46032280) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide
PubChem CID46032280
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC NameN-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H36N4O3/c1-4-21-20(27)24-12-8-16(9-13-24)18(22-17(25)14-15(2)3)19(26)23-10-6-5-7-11-23/h15-16,18H,4-14H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyLDCLHRUKWPSYCA-UHFFFAOYSA-N
XLogP1.97
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide (CID 46032280) is N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide is CCNC(=O)N1CCC(C(NC(=O)CC(C)C)C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide?
The InChIKey is LDCLHRUKWPSYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-4-21-20(27)24-12-8-16(9-13-24)18(22-17(25)14-15(2)3)19(26)23-10-6-5-7-11-23/h15-16,18H,4-14H2,1-3H3,(H,21,27)(H,22,25).
What are the key properties of N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide?
N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(3-methylbutanoylamino)-2-oxo-2-piperidin-1-ylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46032280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).