(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone

C14H26N2O — CID 114084054

IUPAC(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1NCCCC1(C)C
InChIInChI=1S/C14H26N2O/c1-4-11-7-5-10-16(11)13(17)12-14(2,3)8-6-9-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFXHHCNVNNHRIGW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone

(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 114084054) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID114084054
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1NCCCC1(C)C
InChIInChI=1S/C14H26N2O/c1-4-11-7-5-10-16(11)13(17)12-14(2,3)8-6-9-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFXHHCNVNNHRIGW-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114084147
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 60974700
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone (CID 114084054) is (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)C1NCCCC1(C)C.
What is the InChIKey of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is FXHHCNVNNHRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-11-7-5-10-16(11)13(17)12-14(2,3)8-6-9-15-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114084054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).