(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone

C14H26N2O — CID 81134714

IUPAC(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCCC1(CC)CCN(C(=O)[C@H]2CCCNC2)C1
InChIInChI=1S/C14H26N2O/c1-3-14(4-2)7-9-16(11-14)13(17)12-6-5-8-15-10-12/h12,15H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyGVKYNEXSWHXPKI-LBPRGKRZSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds3

About (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone

(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 81134714) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID81134714
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCCC1(CC)CCN(C(=O)[C@H]2CCCNC2)C1
InChIInChI=1S/C14H26N2O/c1-3-14(4-2)7-9-16(11-14)13(17)12-6-5-8-15-10-12/h12,15H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyGVKYNEXSWHXPKI-LBPRGKRZSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[(3S)-piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 81141638
[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129491032
(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 107219702
1-(piperidine-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126106
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
2-oxa-7-azaspiro[4.4]nonan-7-yl(piperidin-3-yl)methanone
CID 119340778
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569

Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone (CID 81134714) is (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone is CCC1(CC)CCN(C(=O)[C@H]2CCCNC2)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is GVKYNEXSWHXPKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-14(4-2)7-9-16(11-14)13(17)12-6-5-8-15-10-12/h12,15H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
(3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 238.37 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81134714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).