9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one

C24H42N4O2 — CID 143778820

IUPAC9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
SMILESCC(=O)N1CCC(C)(N2CCC3(CCN(CC4CCNCC4)C(=O)C3C)CC2)CC1
InChIInChI=1S/C24H42N4O2/c1-19-22(30)27(18-21-4-11-25-12-5-21)15-8-24(19)9-16-28(17-10-24)23(3)6-13-26(14-7-23)20(2)29/h19,21,25H,4-18H2,1-3H3
InChIKeyCUAWZVRRXITZJJ-UHFFFAOYSA-N
MW418.63 g/mol
LogP2.34
Rot. Bonds3

About 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one

9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one (PubChem CID 143778820) has the molecular formula C24H42N4O2 and a molecular weight of 418.63 g/mol. Its IUPAC name is 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
PubChem CID143778820
Molecular FormulaC24H42N4O2
Molecular Weight418.63 g/mol
Exact Mass418.33
IUPAC Name9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
SMILESCC(=O)N1CCC(C)(N2CCC3(CCN(CC4CCNCC4)C(=O)C3C)CC2)CC1
InChIInChI=1S/C24H42N4O2/c1-19-22(30)27(18-21-4-11-25-12-5-21)15-8-24(19)9-16-28(17-10-24)23(3)6-13-26(14-7-23)20(2)29/h19,21,25H,4-18H2,1-3H3
InChIKeyCUAWZVRRXITZJJ-UHFFFAOYSA-N
XLogP2.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.63
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-{[1,4'-Bipiperidin]-1'-YL}propyl)-1-[(4-methylpiperidin-1-YL)sulfonyl]piperidine-3-carboxamide
CID 46276243
3-(4-Methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecan-10-one
CID 57431545
(3S)-1-[(3R)-1-acetylpiperidine-3-carbonyl]-N-methylpiperidine-3-carboxamide;(3S)-N-methyl-1-[(3R)-1-methylpiperidine-3-carbonyl]piperidine-3-carboxamide
CID 91373160
3,3-Dimethyl-1-[4-[3-[1-[3-[4-(3-piperidin-4-ylpropyl)piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059289
3,3-Dimethyl-1-[4-[3-[1-[3-(4-piperidin-4-ylpiperidin-1-yl)propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 132059291
4-methyl-N-[[1-[2-methyl-6-(4-piperidin-4-ylpiperidin-1-yl)hexan-2-yl]piperidin-4-yl]methyl]pentanamide
CID 132059409
N-methyl-N-[1-[2-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]ethyl]piperidin-4-yl]-2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 134582812
N-methyl-2-[1-[2-[4-[[methyl-[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperazin-1-yl]acetyl]amino]methyl]piperidin-1-yl]ethyl]piperidin-4-yl]acetamide
CID 135174564
N-[6-[[2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]amino]hexyl]-2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 140365599
3-(1-Acetyl-4-methylpiperidin-4-yl)-9,11-dimethyl-3,9-diazaspiro[5.5]undecan-10-one
CID 143778819
1-Methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidin-2-one;4-propan-2-ylpiperidine;4-propan-2-ylpiperidin-2-one
CID 157317543
N-methyl-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide;2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 159430639

Frequently Asked Questions

What is the IUPAC name of 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one?
The IUPAC name of 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one (CID 143778820) is 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one.
What is the SMILES notation for 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one?
The canonical SMILES for 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one is CC(=O)N1CCC(C)(N2CCC3(CCN(CC4CCNCC4)C(=O)C3C)CC2)CC1.
What is the InChIKey of 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one?
The InChIKey is CUAWZVRRXITZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O2/c1-19-22(30)27(18-21-4-11-25-12-5-21)15-8-24(19)9-16-28(17-10-24)23(3)6-13-26(14-7-23)20(2)29/h19,21,25H,4-18H2,1-3H3.
What are the key properties of 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one?
9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one has a molecular weight of 418.63 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-acetyl-4-methylpiperidin-4-yl)-5-methyl-3-(piperidin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one is sourced from PubChem (CID 143778820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).