4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid

C18H26N4O3 — CID 56871850

IUPAC4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
SMILESCN(c1ncccc1C(=O)N1CCNC(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C18H26N4O3/c1-21(13-6-3-2-4-7-13)16-14(8-5-9-20-16)17(23)22-11-10-19-15(12-22)18(24)25/h5,8-9,13,15,19H,2-4,6-7,10-12H2,1H3,(H,24,25)
InChIKeyVPLFLWIWOWPPEP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.35
Rot. Bonds4

About 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid

4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid (PubChem CID 56871850) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
PubChem CID56871850
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid
SMILESCN(c1ncccc1C(=O)N1CCNC(C(=O)O)C1)C1CCCCC1
InChIInChI=1S/C18H26N4O3/c1-21(13-6-3-2-4-7-13)16-14(8-5-9-20-16)17(23)22-11-10-19-15(12-22)18(24)25/h5,8-9,13,15,19H,2-4,6-7,10-12H2,1H3,(H,24,25)
InChIKeyVPLFLWIWOWPPEP-UHFFFAOYSA-N
XLogP1.35
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[cyclohexyl(methyl)amino]-3-pyridinyl]-[(3S)-3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 95716026
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2S)-4-[2-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid
CID 95545201
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110311478
(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
(E)-3-[2-[cyclohexyl(methyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 114056964
(2S)-4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 54011056
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
1-methyl-3-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 154883990
acetic acid;4-(diphenylcarbamoyl)piperazine-2-carboxylic acid
CID 70074391
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid?
The IUPAC name of 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid (CID 56871850) is 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid is CN(c1ncccc1C(=O)N1CCNC(C(=O)O)C1)C1CCCCC1.
What is the InChIKey of 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid?
The InChIKey is VPLFLWIWOWPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21(13-6-3-2-4-7-13)16-14(8-5-9-20-16)17(23)22-11-10-19-15(12-22)18(24)25/h5,8-9,13,15,19H,2-4,6-7,10-12H2,1H3,(H,24,25).
What are the key properties of 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid?
4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclohexyl(methyl)amino]pyridine-3-carbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 56871850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).