(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone

C12H22N2O — CID 115665198

IUPAC(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CCCN(C(=O)N2CCCC2)C1C
InChIInChI=1S/C12H22N2O/c1-10-6-5-9-14(11(10)2)12(15)13-7-3-4-8-13/h10-11H,3-9H2,1-2H3
InChIKeyTVAKUUWWFDVIGP-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.32
Rot. Bonds

About (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone

(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone (PubChem CID 115665198) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
PubChem CID115665198
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
SMILESCC1CCCN(C(=O)N2CCCC2)C1C
InChIInChI=1S/C12H22N2O/c1-10-6-5-9-14(11(10)2)12(15)13-7-3-4-8-13/h10-11H,3-9H2,1-2H3
InChIKeyTVAKUUWWFDVIGP-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62211352
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 64591825
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
(2,3-dimethylpiperidin-1-yl)-(3-methylimidazol-3-ium-1-yl)methanone
CID 62124842
(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
1-(2,3-dimethylpiperidin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 114038145
(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone (CID 115665198) is (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone is CC1CCCN(C(=O)N2CCCC2)C1C.
What is the InChIKey of (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is TVAKUUWWFDVIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-6-5-9-14(11(10)2)12(15)13-7-3-4-8-13/h10-11H,3-9H2,1-2H3.
What are the key properties of (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone?
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 210.32 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 115665198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).