3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C15H29N3O — CID 167480006

IUPAC3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC1CCN(CCC(=O)N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-13(2)17-8-10-18(11-9-17)15(19)5-7-16-6-4-14(3)12-16/h13-14H,4-12H2,1-3H3
InChIKeyLDYZMLKRYKZMRC-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.27
Rot. Bonds4

About 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 167480006) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID167480006
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC1CCN(CCC(=O)N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-13(2)17-8-10-18(11-9-17)15(19)5-7-16-6-4-14(3)12-16/h13-14H,4-12H2,1-3H3
InChIKeyLDYZMLKRYKZMRC-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981207
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
2-methyl-N-[1-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 164715646
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
N-[2-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]acetamide
CID 154670939
3-(4-acetylpiperazin-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109018325
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
2-(3-methylpyrrolidin-1-yl)-1-piperazin-1-ylethanone
CID 61226175
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
acetic acid;3-methyl-1-propylpyrrolidine
CID 175874786

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 167480006) is 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC1CCN(CCC(=O)N2CCN(C(C)C)CC2)C1.
What is the InChIKey of 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LDYZMLKRYKZMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)17-8-10-18(11-9-17)15(19)5-7-16-6-4-14(3)12-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 167480006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).