methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene

C21H36N4O3 — CID 161481816

IUPACmethanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene
SMILESCO.Cc1ccc(C)cc1.NC(=O)C1=CNCCC1.NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C8H10.C6H12N2O.C6H10N2O.CH4O/c1-7-3-5-8(2)6-4-7;2*7-6(9)5-2-1-3-8-4-5;1-2/h3-6H,1-2H3;5,8H,1-4H2,(H2,7,9);4,8H,1-3H2,(H2,7,9);2H,1H3/t;5-;;/m.1../s1
InChIKeyWELQKQSLYVRJFB-YEAWCGRSSA-N
MW392.54 g/mol
LogP1.12
Rot. Bonds2

About methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene

methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene (PubChem CID 161481816) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene.

Molecular Properties

Compound Namemethanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene
PubChem CID161481816
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Namemethanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene
SMILESCO.Cc1ccc(C)cc1.NC(=O)C1=CNCCC1.NC(=O)[C@@H]1CCCNC1
InChIInChI=1S/C8H10.C6H12N2O.C6H10N2O.CH4O/c1-7-3-5-8(2)6-4-7;2*7-6(9)5-2-1-3-8-4-5;1-2/h3-6H,1-2H3;5,8H,1-4H2,(H2,7,9);4,8H,1-3H2,(H2,7,9);2H,1H3/t;5-;;/m.1../s1
InChIKeyWELQKQSLYVRJFB-YEAWCGRSSA-N
XLogP1.12
TPSA130.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

methanol;(3R)-piperidine-3-carboxamide;bis(sulfur trioxide);1,2,3,4-tetrahydropyridine-5-carboxamide;toluene
CID 159842867
4-methylbenzenesulfonic acid;(3R)-piperidine-3-carboxamide
CID 172751245
ethene;piperidine-3-carboxamide
CID 91354072
3-(4-methylphenyl)-1-piperidin-3-ylpropan-1-one
CID 82289357
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81129873
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
2-(4-methylphenyl)-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119314469
N-[2-[(4-methylbenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299602
azonane-5-carboxamide
CID 175462100
N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321

Frequently Asked Questions

What is the IUPAC name of methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene?
The IUPAC name of methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene (CID 161481816) is methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene.
What is the SMILES notation for methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene?
The canonical SMILES for methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene is CO.Cc1ccc(C)cc1.NC(=O)C1=CNCCC1.NC(=O)[C@@H]1CCCNC1.
What is the InChIKey of methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene?
The InChIKey is WELQKQSLYVRJFB-YEAWCGRSSA-N. The full InChI is InChI=1S/C8H10.C6H12N2O.C6H10N2O.CH4O/c1-7-3-5-8(2)6-4-7;2*7-6(9)5-2-1-3-8-4-5;1-2/h3-6H,1-2H3;5,8H,1-4H2,(H2,7,9);4,8H,1-3H2,(H2,7,9);2H,1H3/t;5-;;/m.1../s1.
What are the key properties of methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene?
methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene has a molecular weight of 392.54 g/mol, XLogP of 1.12, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(3R)-piperidine-3-carboxamide;1,2,3,4-tetrahydropyridine-5-carboxamide;1,4-xylene is sourced from PubChem (CID 161481816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).