1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one

C17H30N2O2 — CID 63902985

IUPAC1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CCCC1C1CCCC1
InChIInChI=1S/C17H30N2O2/c20-17(9-13-21-15-7-10-18-11-8-15)19-12-3-6-16(19)14-4-1-2-5-14/h14-16,18H,1-13H2
InChIKeyTYWBBGUCBVCRJG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.33
Rot. Bonds5

About 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one

1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 63902985) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
PubChem CID63902985
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
SMILESO=C(CCOC1CCNCC1)N1CCCC1C1CCCC1
InChIInChI=1S/C17H30N2O2/c20-17(9-13-21-15-7-10-18-11-8-15)19-12-3-6-16(19)14-4-1-2-5-14/h14-16,18H,1-13H2
InChIKeyTYWBBGUCBVCRJG-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-piperidin-4-yloxypropan-1-one
CID 63875294
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
1-(azepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251949
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-piperidin-4-yloxypropan-1-one
CID 63905461
1-(2-piperidin-4-yloxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 55251141
1-(4-methylpiperazin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 55251851
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
1-(4-methylazepan-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63904324
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-piperidin-4-yloxyethanone
CID 63876565

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one (CID 63902985) is 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one is O=C(CCOC1CCNCC1)N1CCCC1C1CCCC1.
What is the InChIKey of 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is TYWBBGUCBVCRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-17(9-13-21-15-7-10-18-11-8-15)19-12-3-6-16(19)14-4-1-2-5-14/h14-16,18H,1-13H2.
What are the key properties of 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one?
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 63902985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).