(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C15H27N3O — CID 79388612

IUPAC(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1NCCC1C(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H27N3O/c1-12-14(6-7-16-12)15(19)18-10-4-5-13(11-18)17-8-2-3-9-17/h12-14,16H,2-11H2,1H3
InChIKeyIAPUVAXFAVLUBM-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds2

About (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone

(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 79388612) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID79388612
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCC1NCCC1C(=O)N1CCCC(N2CCCC2)C1
InChIInChI=1S/C15H27N3O/c1-12-14(6-7-16-12)15(19)18-10-4-5-13(11-18)17-8-2-3-9-17/h12-14,16H,2-11H2,1H3
InChIKeyIAPUVAXFAVLUBM-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79384116
ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 79383234
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 97050947
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl(cyclopropyl)methanone
CID 49224332
1-[(3R)-1-[(2S,3S)-2-methylpiperidine-3-carbonyl]piperidin-3-yl]piperazin-2-one
CID 129347358
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114678386
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(2R)-piperidin-2-yl]methanone
CID 104913916
methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate
CID 75473055
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 79388612) is (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is CC1NCCC1C(=O)N1CCCC(N2CCCC2)C1.
What is the InChIKey of (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is IAPUVAXFAVLUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-14(6-7-16-12)15(19)18-10-4-5-13(11-18)17-8-2-3-9-17/h12-14,16H,2-11H2,1H3.
What are the key properties of (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 79388612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).