1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone

C16H31N3O — CID 61030469

IUPAC1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
SMILESCC(C)CCN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(2)5-8-18-9-11-19(12-10-18)16(20)13-15-3-6-17-7-4-15/h14-15,17H,3-13H2,1-2H3
InChIKeyKUKLUADMRATWJM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone

1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 61030469) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
PubChem CID61030469
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone
SMILESCC(C)CCN1CCN(C(=O)CC2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(2)5-8-18-9-11-19(12-10-18)16(20)13-15-3-6-17-7-4-15/h14-15,17H,3-13H2,1-2H3
InChIKeyKUKLUADMRATWJM-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
N,N-dimethyl-2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetamide
CID 61028980
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
methyl 2-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]acetate
CID 61029365
1-[4-(3-methylbutyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(3-methylbutyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone;2-methyl-1-[4-[1-(2-methylpropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one;2-methyl-1-[4-[2-[1-(2-methylpropyl)piperidin-4-yl]acetyl]piperazin-1-yl]propan-1-one;1-[4-(2-methylpropyl)piperazin-1-yl]-2-[1-(2-methylpropyl)piperidin-4-yl]ethanone;[4-(2-methylpropyl)piperazin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 167593861
2-chloro-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 60808366
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 79854884
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
3-amino-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 60963917
1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119762687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The IUPAC name of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone (CID 61030469) is 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The canonical SMILES for 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone is CC(C)CCN1CCN(C(=O)CC2CCNCC2)CC1.
What is the InChIKey of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
The InChIKey is KUKLUADMRATWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)5-8-18-9-11-19(12-10-18)16(20)13-15-3-6-17-7-4-15/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone?
1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 281.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutyl)piperazin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 61030469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).