(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone

C16H29N3O — CID 119899813

IUPAC(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone
SMILESCN1CCN(C(=O)C2CCCNC2)C2(CCCCC2)C1
InChIInChI=1S/C16H29N3O/c1-18-10-11-19(15(20)14-6-5-9-17-12-14)16(13-18)7-3-2-4-8-16/h14,17H,2-13H2,1H3
InChIKeyZIFWTHSSCFGHDS-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds1

About (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone

(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone (PubChem CID 119899813) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone
PubChem CID119899813
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone
SMILESCN1CCN(C(=O)C2CCCNC2)C2(CCCCC2)C1
InChIInChI=1S/C16H29N3O/c1-18-10-11-19(15(20)14-6-5-9-17-12-14)16(13-18)7-3-2-4-8-16/h14,17H,2-13H2,1H3
InChIKeyZIFWTHSSCFGHDS-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone with MolForge

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Related Compounds

(3-aminocyclohexyl)-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone;dihydrochloride
CID 119899828
1-azaspiro[3.3]heptan-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 130748124
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134714
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone?
The IUPAC name of (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone (CID 119899813) is (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone is CN1CCN(C(=O)C2CCCNC2)C2(CCCCC2)C1.
What is the InChIKey of (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone?
The InChIKey is ZIFWTHSSCFGHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18-10-11-19(15(20)14-6-5-9-17-12-14)16(13-18)7-3-2-4-8-16/h14,17H,2-13H2,1H3.
What are the key properties of (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone?
(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone has a molecular weight of 279.43 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 119899813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).