3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C16H30N2O — CID 103876554

IUPAC3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)15-7-11-18(12-8-15)16(19)4-3-14-5-9-17-10-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPFPACXBKJRVELF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds4

About 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 103876554) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID103876554
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C16H30N2O/c1-13(2)15-7-11-18(12-8-15)16(19)4-3-14-5-9-17-10-6-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPFPACXBKJRVELF-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-4-ylethanone
CID 103810262
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 103876554) is 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is PFPACXBKJRVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(2)15-7-11-18(12-8-15)16(19)4-3-14-5-9-17-10-6-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103876554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).