3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one

C15H29N3O — CID 82023385

IUPAC3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC(CN2CCNCC2)C1
InChIInChI=1S/C15H29N3O/c1-13(2)10-15(19)18-7-3-4-14(12-18)11-17-8-5-16-6-9-17/h13-14,16H,3-12H2,1-2H3
InChIKeyFNKGJBLOQJTGLV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.18
Rot. Bonds4

About 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one

3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 82023385) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID82023385
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC(CN2CCNCC2)C1
InChIInChI=1S/C15H29N3O/c1-13(2)10-15(19)18-7-3-4-14(12-18)11-17-8-5-16-6-9-17/h13-14,16H,3-12H2,1-2H3
InChIKeyFNKGJBLOQJTGLV-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
CID 68707014
ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713
3-piperidin-4-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 119883770
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
1-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119880860

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one (CID 82023385) is 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCCC(CN2CCNCC2)C1.
What is the InChIKey of 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is FNKGJBLOQJTGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)10-15(19)18-7-3-4-14(12-18)11-17-8-5-16-6-9-17/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one?
3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 82023385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).