[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone

C15H25N5O3 — CID 74247946

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
SMILESC[C@]1(O)CCN(C(=O)c2cn(C3CCC(N)CC3)nn2)C[C@@H]1O
InChIInChI=1S/C15H25N5O3/c1-15(23)6-7-19(9-13(15)21)14(22)12-8-20(18-17-12)11-4-2-10(16)3-5-11/h8,10-11,13,21,23H,2-7,9,16H2,1H3/t10?,11?,13-,15-/m0/s1
InChIKeyRXQZMTDWDXVSAU-DIQYOTHFSA-N
MW323.40 g/mol
LogP-0.32
Rot. Bonds2

About [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone (PubChem CID 74247946) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
PubChem CID74247946
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
SMILESC[C@]1(O)CCN(C(=O)c2cn(C3CCC(N)CC3)nn2)C[C@@H]1O
InChIInChI=1S/C15H25N5O3/c1-15(23)6-7-19(9-13(15)21)14(22)12-8-20(18-17-12)11-4-2-10(16)3-5-11/h8,10-11,13,21,23H,2-7,9,16H2,1H3/t10?,11?,13-,15-/m0/s1
InChIKeyRXQZMTDWDXVSAU-DIQYOTHFSA-N
XLogP-0.32
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(4-aminocyclohexyl)triazol-4-yl]-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methanone
CID 56908233
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70771529
[(4S,9aR)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[1-(4-aminocyclohexyl)triazol-4-yl]methanone
CID 155919476
1-[(3R,4R)-1-[1-(4-aminocyclohexyl)triazole-4-carbonyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135090785
[1-(4-aminocyclohexyl)triazol-4-yl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163310711
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70720670
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
CID 137340320
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
CID 98260169
[1-(4-aminocyclohexyl)triazol-4-yl]-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166618494
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70781969
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
[1-(4-aminocyclohexyl)triazol-4-yl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone;dihydrochloride
CID 155972199

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone (CID 74247946) is [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone is C[C@]1(O)CCN(C(=O)c2cn(C3CCC(N)CC3)nn2)C[C@@H]1O.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
The InChIKey is RXQZMTDWDXVSAU-DIQYOTHFSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-15(23)6-7-19(9-13(15)21)14(22)12-8-20(18-17-12)11-4-2-10(16)3-5-11/h8,10-11,13,21,23H,2-7,9,16H2,1H3/t10?,11?,13-,15-/m0/s1.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 74247946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).