1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one

C14H27N3O — CID 63167273

IUPAC1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
SMILESCN(C)C1CCN(C(=O)CCC2CCCNC2)C1
InChIInChI=1S/C14H27N3O/c1-16(2)13-7-9-17(11-13)14(18)6-5-12-4-3-8-15-10-12/h12-13,15H,3-11H2,1-2H3
InChIKeyXIXUCJCUTCEKKV-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds4

About 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one

1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one (PubChem CID 63167273) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
PubChem CID63167273
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one
SMILESCN(C)C1CCN(C(=O)CCC2CCCNC2)C1
InChIInChI=1S/C14H27N3O/c1-16(2)13-7-9-17(11-13)14(18)6-5-12-4-3-8-15-10-12/h12-13,15H,3-11H2,1-2H3
InChIKeyXIXUCJCUTCEKKV-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminocyclohexyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 80701437
1-(3-hydroxy-3-methylazetidin-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107219335
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867
1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-piperidin-3-ylpropan-1-one
CID 66372384
1-(4-hydroxy-4-methylazepan-1-yl)-3-piperidin-3-ylpropan-1-one
CID 107404314
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-piperazin-1-ylethanone
CID 55169216
3-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63164681
1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 103532971
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490968
CID 43586228
CID 43586228
1-[3-(dimethylamino)pyrrolidin-1-yl]hex-5-yn-1-one
CID 87057862
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one (CID 63167273) is 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one is CN(C)C1CCN(C(=O)CCC2CCCNC2)C1.
What is the InChIKey of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one?
The InChIKey is XIXUCJCUTCEKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(2)13-7-9-17(11-13)14(18)6-5-12-4-3-8-15-10-12/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one?
1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)pyrrolidin-1-yl]-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 63167273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).