3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one

C13H24N2O — CID 81424634

IUPAC3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-14-12-8-9-15(10-12)13(16)7-6-11-4-2-3-5-11/h11-12,14H,2-10H2,1H3
InChIKeyMNYZLRHAHWXXIR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds4

About 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one

3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 81424634) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID81424634
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
SMILESCNC1CCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C13H24N2O/c1-14-12-8-9-15(10-12)13(16)7-6-11-4-2-3-5-11/h11-12,14H,2-10H2,1H3
InChIKeyMNYZLRHAHWXXIR-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 119493887
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211
3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119488758
methyl N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]carbamate
CID 108566198
1-[3-(methylamino)pyrrolidin-1-yl]-3-methylsulfanylpropan-1-one
CID 81466966
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-chloro-N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]propanamide
CID 108566205
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-cyclopentyl-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 80551568
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one (CID 81424634) is 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one is CNC1CCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is MNYZLRHAHWXXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-12-8-9-15(10-12)13(16)7-6-11-4-2-3-5-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one?
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 81424634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).