1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one

C18H35N3O — CID 169188679

IUPAC1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O/c1-4-18(22)21-14-12-20(13-15-21)9-5-8-19-10-6-17(7-11-19)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyMSEHAMRLZPCROK-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.30
Rot. Bonds6

About 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one

1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one (PubChem CID 169188679) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
PubChem CID169188679
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O/c1-4-18(22)21-14-12-20(13-15-21)9-5-8-19-10-6-17(7-11-19)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeyMSEHAMRLZPCROK-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
1-[4-[3-(propan-2-ylamino)propyl]piperazin-1-yl]propan-1-one
CID 146645130
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 169228908
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]propan-1-one
CID 110923851
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 152973298

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one (CID 169188679) is 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCCN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one?
The InChIKey is MSEHAMRLZPCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-4-18(22)21-14-12-20(13-15-21)9-5-8-19-10-6-17(7-11-19)16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one?
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one has a molecular weight of 309.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 169188679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).