N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide

C16H27N3O3 — CID 136524483

IUPACN-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCNC(=O)C1C(C)C
InChIInChI=1S/C16H27N3O3/c1-10(2)13-15(21)17-8-9-19(13)16(22)11(3)18-14(20)12-6-4-5-7-12/h10-13H,4-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyAKCWUKGVIPBAIQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.66
Rot. Bonds4

About N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide

N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide (PubChem CID 136524483) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide
PubChem CID136524483
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCNC(=O)C1C(C)C
InChIInChI=1S/C16H27N3O3/c1-10(2)13-15(21)17-8-9-19(13)16(22)11(3)18-14(20)12-6-4-5-7-12/h10-13H,4-9H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyAKCWUKGVIPBAIQ-UHFFFAOYSA-N
XLogP0.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide (CID 136524483) is N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)C(=O)N1CCNC(=O)C1C(C)C.
What is the InChIKey of N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide?
The InChIKey is AKCWUKGVIPBAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-10(2)13-15(21)17-8-9-19(13)16(22)11(3)18-14(20)12-6-4-5-7-12/h10-13H,4-9H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide?
N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-oxo-2-propan-2-ylpiperazin-1-yl)propan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 136524483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).