1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone

C14H26N2O2 — CID 61363713

IUPAC1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCCCOC1CCCN(C(=O)CC2CCCN2)C1
InChIInChI=1S/C14H26N2O2/c1-2-9-18-13-6-4-8-16(11-13)14(17)10-12-5-3-7-15-12/h12-13,15H,2-11H2,1H3
InChIKeySEXMCJCTZFPIDN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds5

About 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone

1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 61363713) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
PubChem CID61363713
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCCCOC1CCCN(C(=O)CC2CCCN2)C1
InChIInChI=1S/C14H26N2O2/c1-2-9-18-13-6-4-8-16(11-13)14(17)10-12-5-3-7-15-12/h12-13,15H,2-11H2,1H3
InChIKeySEXMCJCTZFPIDN-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
(3-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62340471
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-morpholin-2-yl-1-(3-propoxypiperidin-1-yl)ethanone
CID 66427238
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
CID 119895118
5-chloro-1-(3-propoxypiperidin-1-yl)pentan-1-one
CID 61169567
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
CID 65299943
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone (CID 61363713) is 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone is CCCOC1CCCN(C(=O)CC2CCCN2)C1.
What is the InChIKey of 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is SEXMCJCTZFPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-9-18-13-6-4-8-16(11-13)14(17)10-12-5-3-7-15-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 254.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 61363713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).