(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone

C12H22N2O — CID 81129016

IUPAC(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCCC1CCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O/c1-2-11-6-4-8-14(11)12(15)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyQTTKJUSUOOEAOQ-VUWPPUDQSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone

(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 81129016) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID81129016
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCCC1CCCN1C(=O)[C@H]1CCCNC1
InChIInChI=1S/C12H22N2O/c1-2-11-6-4-8-14(11)12(15)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3/t10-,11?/m0/s1
InChIKeyQTTKJUSUOOEAOQ-VUWPPUDQSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone (CID 81129016) is (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone is CCC1CCCN1C(=O)[C@H]1CCCNC1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is QTTKJUSUOOEAOQ-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-11-6-4-8-14(11)12(15)10-5-3-7-13-9-10/h10-11,13H,2-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone?
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81129016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).