3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

C21H37N3O2 — CID 42693420

IUPAC3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-17(2)16-20(25)23-14-8-19(9-15-23)22-12-6-18(7-13-22)21(26)24-10-4-3-5-11-24/h17-19H,3-16H2,1-2H3
InChIKeyRUZMYOVCIOTHLJ-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.75
Rot. Bonds4

About 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one

3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (PubChem CID 42693420) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
PubChem CID42693420
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C21H37N3O2/c1-17(2)16-20(25)23-14-8-19(9-15-23)22-12-6-18(7-13-22)21(26)24-10-4-3-5-11-24/h17-19H,3-16H2,1-2H3
InChIKeyRUZMYOVCIOTHLJ-UHFFFAOYSA-N
XLogP2.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797304
3,3-dimethyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42881246
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
CID 113074898
ethyl 4-[1-(3-methylbutanoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 113005128
3-methyl-1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one;oxalic acid
CID 2912644
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881490
1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 806442
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methylsulfanylpentan-1-one
CID 84589915
(7aS)-3-[1-[1-(3-methylbutanoyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 143591931
(3aS,7aS)-3-[1-[1-(3-methylbutanoyl)piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24883164
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one (CID 42693420) is 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC(N2CCC(C(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
The InChIKey is RUZMYOVCIOTHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-17(2)16-20(25)23-14-8-19(9-15-23)22-12-6-18(7-13-22)21(26)24-10-4-3-5-11-24/h17-19H,3-16H2,1-2H3.
What are the key properties of 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one?
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one has a molecular weight of 363.55 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 42693420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).