(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid

C13H22N2O3 — CID 107068398

IUPAC(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCNC1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-2-6-14-11(9)12(16)15-7-3-5-10(8-15)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyOIFJJSOAWANUTI-HSOILSAZSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds2

About (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 107068398) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID107068398
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid
SMILESCC1CCCNC1C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-2-6-14-11(9)12(16)15-7-3-5-10(8-15)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyOIFJJSOAWANUTI-HSOILSAZSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81125629
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
[3-(dimethylamino)pyrrolidin-1-yl]-(3-methylpiperidin-2-yl)methanone
CID 55224694
(4-ethyl-3-methylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 63620867
1,4-diazepan-1-yl-(3-methylpiperidin-2-yl)methanone
CID 107067220
(3-methylpiperidin-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 62340471
[1-(3-methylpiperidine-2-carbonyl)piperidin-3-yl]methylurea
CID 107067784
2-[4-(3-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107068136
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
(4-methoxypiperidin-1-yl)-(3-methylpiperidin-2-yl)methanone
CID 62339458

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid (CID 107068398) is (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid is CC1CCCNC1C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is OIFJJSOAWANUTI-HSOILSAZSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-4-2-6-14-11(9)12(16)15-7-3-5-10(8-15)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)/t9?,10-,11?/m1/s1.
What are the key properties of (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methylpiperidine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107068398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).