[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

C13H24N2O2 — CID 55075936

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC1CCCO
InChIInChI=1S/C13H24N2O2/c16-9-3-6-12-5-2-8-15(12)13(17)11-4-1-7-14-10-11/h11-12,14,16H,1-10H2
InChIKeyURYZYCHNHZQAIA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds4

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 55075936) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
PubChem CID55075936
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCCC1CCCO
InChIInChI=1S/C13H24N2O2/c16-9-3-6-12-5-2-8-15(12)13(17)11-4-1-7-14-10-11/h11-12,14,16H,1-10H2
InChIKeyURYZYCHNHZQAIA-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119308483
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 62480452
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 129359511
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
[1-(piperidine-3-carbonyl)piperidin-2-yl]methylurea
CID 119313333
[(2R)-1-[(3S)-piperidine-3-carbonyl]piperidin-2-yl]methylurea
CID 124593040

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone (CID 55075936) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCCC1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is URYZYCHNHZQAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-9-3-6-12-5-2-8-15(12)13(17)11-4-1-7-14-10-11/h11-12,14,16H,1-10H2.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 55075936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).