(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid

C14H19N3O3 — CID 81120843

IUPAC(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C14H19N3O3/c1-16(2)12-6-5-10(8-15-12)13(18)17-7-3-4-11(9-17)14(19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyWWHZSGUDGVDELE-NSHDSACASA-N
MW277.32 g/mol
LogP1.08
Rot. Bonds3

About (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid

(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 81120843) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID81120843
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C14H19N3O3/c1-16(2)12-6-5-10(8-15-12)13(18)17-7-3-4-11(9-17)14(19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20)/t11-/m0/s1
InChIKeyWWHZSGUDGVDELE-NSHDSACASA-N
XLogP1.08
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
1-[6-(azepan-1-yl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 102554636
[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]-N-phenylpiperidine-3-sulfonamide
CID 97348370
[6-(dimethylamino)-3-pyridinyl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343515
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid (CID 81120843) is (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid is CN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is WWHZSGUDGVDELE-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(2)12-6-5-10(8-15-12)13(18)17-7-3-4-11(9-17)14(19)20/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid?
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).