2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide

C18H32N4O3 — CID 138685348

IUPAC2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
SMILESCC(C)CC(C(=O)N1CCC(CC(N)=O)CC1)N1CCN[C@@H](C)C1=O
InChIInChI=1S/C18H32N4O3/c1-12(2)10-15(22-9-6-20-13(3)17(22)24)18(25)21-7-4-14(5-8-21)11-16(19)23/h12-15,20H,4-11H2,1-3H3,(H2,19,23)/t13-,15?/m0/s1
InChIKeyHEGCBKVSRIMLMW-CFMCSPIPSA-N
MW352.48 g/mol
LogP0.34
Rot. Bonds6

About 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide

2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide (PubChem CID 138685348) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
PubChem CID138685348
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide
SMILESCC(C)CC(C(=O)N1CCC(CC(N)=O)CC1)N1CCN[C@@H](C)C1=O
InChIInChI=1S/C18H32N4O3/c1-12(2)10-15(22-9-6-20-13(3)17(22)24)18(25)21-7-4-14(5-8-21)11-16(19)23/h12-15,20H,4-11H2,1-3H3,(H2,19,23)/t13-,15?/m0/s1
InChIKeyHEGCBKVSRIMLMW-CFMCSPIPSA-N
XLogP0.34
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide (CID 138685348) is 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide is CC(C)CC(C(=O)N1CCC(CC(N)=O)CC1)N1CCN[C@@H](C)C1=O.
What is the InChIKey of 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
The InChIKey is HEGCBKVSRIMLMW-CFMCSPIPSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-12(2)10-15(22-9-6-20-13(3)17(22)24)18(25)21-7-4-14(5-8-21)11-16(19)23/h12-15,20H,4-11H2,1-3H3,(H2,19,23)/t13-,15?/m0/s1.
What are the key properties of 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide?
2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methyl-2-[(3S)-3-methyl-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 138685348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).