[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone

C17H23N5O — CID 124690789

IUPAC[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2cc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)nn2)c1
InChIInChI=1S/C17H23N5O/c1-12-5-3-7-14(9-12)22-11-15(19-20-22)17(23)21-8-4-6-13(2)16(21)10-18/h3,5,7,9,11,13,16H,4,6,8,10,18H2,1-2H3/t13-,16+/m1/s1
InChIKeyPBRRWPPCNOKQAT-CJNGLKHVSA-N
MW313.40 g/mol
LogP1.78
Rot. Bonds3

About [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone

[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone (PubChem CID 124690789) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
PubChem CID124690789
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2cc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)nn2)c1
InChIInChI=1S/C17H23N5O/c1-12-5-3-7-14(9-12)22-11-15(19-20-22)17(23)21-8-4-6-13(2)16(21)10-18/h3,5,7,9,11,13,16H,4,6,8,10,18H2,1-2H3/t13-,16+/m1/s1
InChIKeyPBRRWPPCNOKQAT-CJNGLKHVSA-N
XLogP1.78
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone with MolForge

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Related Compounds

[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124695690
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124698513
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124690820
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119485152
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119374753
[(2R)-2-(aminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124698560
[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119490474
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119594665
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
2-[(3S)-4-[1-(3-methylphenyl)triazole-4-carbonyl]morpholin-3-yl]acetic acid
CID 129469806
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone (CID 124690789) is [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone is Cc1cccc(-n2cc(C(=O)N3CCC[C@@H](C)[C@@H]3CN)nn2)c1.
What is the InChIKey of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
The InChIKey is PBRRWPPCNOKQAT-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-5-3-7-14(9-12)22-11-15(19-20-22)17(23)21-8-4-6-13(2)16(21)10-18/h3,5,7,9,11,13,16H,4,6,8,10,18H2,1-2H3/t13-,16+/m1/s1.
What are the key properties of [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone?
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 124690789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).