N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide

C20H33N3O3 — CID 24719461

IUPACN-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide
SMILESCC(=O)N1CCC(C(NC(=O)C2CCCC2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H33N3O3/c1-15(24)22-13-9-16(10-14-22)18(20(26)23-11-5-2-6-12-23)21-19(25)17-7-3-4-8-17/h16-18H,2-14H2,1H3,(H,21,25)
InChIKeyNMKKONBUWQDKKS-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.93
Rot. Bonds4

About N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide

N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide (PubChem CID 24719461) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide
PubChem CID24719461
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide
SMILESCC(=O)N1CCC(C(NC(=O)C2CCCC2)C(=O)N2CCCCC2)CC1
InChIInChI=1S/C20H33N3O3/c1-15(24)22-13-9-16(10-14-22)18(20(26)23-11-5-2-6-12-23)21-19(25)17-7-3-4-8-17/h16-18H,2-14H2,1H3,(H,21,25)
InChIKeyNMKKONBUWQDKKS-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide?
The IUPAC name of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide (CID 24719461) is N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide is CC(=O)N1CCC(C(NC(=O)C2CCCC2)C(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide?
The InChIKey is NMKKONBUWQDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-15(24)22-13-9-16(10-14-22)18(20(26)23-11-5-2-6-12-23)21-19(25)17-7-3-4-8-17/h16-18H,2-14H2,1H3,(H,21,25).
What are the key properties of N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide?
N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide has a molecular weight of 363.50 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]cyclopentanecarboxamide is sourced from PubChem (CID 24719461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).