(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

C13H24N2O — CID 94372824

IUPAC(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCCC1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-11-6-9-15(10-7-11)13(16)12-5-3-8-14-12/h11-12,14H,2-10H2,1H3/t12-/m1/s1
InChIKeyURGADVUOWBAQGE-GFCCVEGCSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 94372824) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID94372824
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCCCC1CCN(C(=O)[C@H]2CCCN2)CC1
InChIInChI=1S/C13H24N2O/c1-2-4-11-6-9-15(10-7-11)13(16)12-5-3-8-14-12/h11-12,14H,2-10H2,1H3/t12-/m1/s1
InChIKeyURGADVUOWBAQGE-GFCCVEGCSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 43133259
[4-(aminomethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 71084950
[4-(methoxymethyl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 63978813
[4-(methoxymethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 119319211
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119899173
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
N-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 119322028

Frequently Asked Questions

What is the IUPAC name of (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 94372824) is (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is CCCC1CCN(C(=O)[C@H]2CCCN2)CC1.
What is the InChIKey of (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is URGADVUOWBAQGE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-4-11-6-9-15(10-7-11)13(16)12-5-3-8-14-12/h11-12,14H,2-10H2,1H3/t12-/m1/s1.
What are the key properties of (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 94372824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).