1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone

C14H26N2O — CID 119788481

IUPAC1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCC(C)C1CCCCN1C(=O)CC1CCCN1
InChIInChI=1S/C14H26N2O/c1-11(2)13-7-3-4-9-16(13)14(17)10-12-6-5-8-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyYXIUPEPBWQEMLG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone

1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 119788481) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
PubChem CID119788481
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCC(C)C1CCCCN1C(=O)CC1CCCN1
InChIInChI=1S/C14H26N2O/c1-11(2)13-7-3-4-9-16(13)14(17)10-12-6-5-8-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyYXIUPEPBWQEMLG-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-piperidin-2-ylethanone
CID 43151335
1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119726913
1-(2,3-dimethylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62122858
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
N-methyl-1-(2-piperidin-2-ylacetyl)piperidine-2-carboxamide
CID 54989662
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107217877
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 107218090
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-piperidin-2-ylethanone
CID 61409850
2-piperidin-2-yl-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113417562

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone (CID 119788481) is 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone is CC(C)C1CCCCN1C(=O)CC1CCCN1.
What is the InChIKey of 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is YXIUPEPBWQEMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)13-7-3-4-9-16(13)14(17)10-12-6-5-8-15-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 119788481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).