1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one

C15H28N2O — CID 62044651

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
SMILESCCCC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-6-15(18)13-16-11-7-14(8-12-16)17-9-4-3-5-10-17/h14H,2-13H2,1H3
InChIKeyMOJNOTCDOIBCOY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one

1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one (PubChem CID 62044651) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
PubChem CID62044651
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
SMILESCCCC(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-6-15(18)13-16-11-7-14(8-12-16)17-9-4-3-5-10-17/h14H,2-13H2,1H3
InChIKeyMOJNOTCDOIBCOY-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentan-2-one
CID 79935934
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
1-(4-methoxypiperidin-1-yl)pentan-2-one
CID 62043112
1-methoxy-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-one
CID 107507405
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
ethyl 5-(4-cyclopropylpiperazin-1-yl)-4-oxopentanoate
CID 103484200
butyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)acetate
CID 55159559
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
N-ethyl-N-[(4-piperidin-1-ylpiperidin-1-yl)methyl]ethanamine
CID 59952808
(2S)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-ol
CID 103934988

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one (CID 62044651) is 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one is CCCC(=O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one?
The InChIKey is MOJNOTCDOIBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-6-15(18)13-16-11-7-14(8-12-16)17-9-4-3-5-10-17/h14H,2-13H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one?
1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one is sourced from PubChem (CID 62044651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).