2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one

C14H26N2O — CID 60978516

IUPAC2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyVJHSVYVYWBMWSI-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds1

About 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one

2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 60978516) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
PubChem CID60978516
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C1CCCNC1
InChIInChI=1S/C14H26N2O/c1-14(2,3)13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyVJHSVYVYWBMWSI-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
CID 64593206
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351
3-methoxy-3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)butan-1-one
CID 103019654
1-(2-piperidin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 60978651
oxolan-2-yl-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 54885653
4-(2,3,4,4a,5,6,7,8,9,9a-decahydropyrido[3,2-c]azepine-1-carbonyl)-N-tert-butylbenzenesulfonamide
CID 154762149
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2,2,2-trifluoroethanone
CID 102679386
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119313249
tert-butyl (5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepine-1-carboxylate
CID 95387190

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one (CID 60978516) is 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCCC1C1CCCNC1.
What is the InChIKey of 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is VJHSVYVYWBMWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)13(17)16-9-5-7-12(16)11-6-4-8-15-10-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one?
2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 60978516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).