9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C18H29N3O3 — CID 72879124

IUPAC9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(=O)N1CCCC(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)C1
InChIInChI=1S/C18H29N3O3/c1-14(22)21-9-3-4-15(12-21)17(24)20-10-7-18(8-11-20)6-5-16(23)19(2)13-18/h15H,3-13H2,1-2H3
InChIKeyOBZCZQGXZKTBJT-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.11
Rot. Bonds1

About 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72879124) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72879124
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCC(=O)N1CCCC(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)C1
InChIInChI=1S/C18H29N3O3/c1-14(22)21-9-3-4-15(12-21)17(24)20-10-7-18(8-11-20)6-5-16(23)19(2)13-18/h15H,3-13H2,1-2H3
InChIKeyOBZCZQGXZKTBJT-UHFFFAOYSA-N
XLogP1.11
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
1-[3-(4-hydroxy-4-methylazepane-1-carbonyl)piperidin-1-yl]ethanone
CID 107406558
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193
1-[3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 72863540
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
4-(2-azaspiro[4.5]decane-2-carbonyl)-1-methylpyrrolidin-2-one
CID 127355360
1-[3-[4-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 146087913
3-(2-azaspiro[4.5]decane-2-carbonyl)piperidine-1-carboxamide
CID 71929504
1-[(3R)-3-(2-azaspiro[4.5]decane-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97095137
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
8-(1-acetylpiperidine-4-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72874000
5-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 97206841

Frequently Asked Questions

What is the IUPAC name of 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72879124) is 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is CC(=O)N1CCCC(C(=O)N2CCC3(CCC(=O)N(C)C3)CC2)C1.
What is the InChIKey of 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OBZCZQGXZKTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(22)21-9-3-4-15(12-21)17(24)20-10-7-18(8-11-20)6-5-16(23)19(2)13-18/h15H,3-13H2,1-2H3.
What are the key properties of 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 335.45 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72879124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).