1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid

C13H18N4O3 — CID 79354679

IUPAC1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-11(17)13(19)20)9-5-8-10(6-14-9)16-7-15-8/h7,9,11,14H,1-6H2,(H,15,16)(H,19,20)
InChIKeyRIYAYNBSPDHJJY-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.11
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid

1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79354679) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid
PubChem CID79354679
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-11(17)13(19)20)9-5-8-10(6-14-9)16-7-15-8/h7,9,11,14H,1-6H2,(H,15,16)(H,19,20)
InChIKeyRIYAYNBSPDHJJY-UHFFFAOYSA-N
XLogP-0.11
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352883
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 82752465
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 79354470
azocan-1-yl(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354450
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
(4-tert-butylpiperidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79352607
(4-methyl-1,4-diazepan-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 79354236
5-[(2S)-pyrrolidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342623
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593081
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 79352116
(3-hydroxy-3-methylazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
CID 107219364
(2S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 66264258

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid (CID 79354679) is 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RIYAYNBSPDHJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-11(17)13(19)20)9-5-8-10(6-14-9)16-7-15-8/h7,9,11,14H,1-6H2,(H,15,16)(H,19,20).
What are the key properties of 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid?
1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79354679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).