[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone

C16H27N5O3 — CID 137340320

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
SMILESNC1CCC(n2cc(C(=O)N3CCC(C(O)CO)CC3)nn2)CC1
InChIInChI=1S/C16H27N5O3/c17-12-1-3-13(4-2-12)21-9-14(18-19-21)16(24)20-7-5-11(6-8-20)15(23)10-22/h9,11-13,15,22-23H,1-8,10,17H2
InChIKeyMEWIEZCCQOGDAP-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.07
Rot. Bonds4

About [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone (PubChem CID 137340320) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
PubChem CID137340320
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone
SMILESNC1CCC(n2cc(C(=O)N3CCC(C(O)CO)CC3)nn2)CC1
InChIInChI=1S/C16H27N5O3/c17-12-1-3-13(4-2-12)21-9-14(18-19-21)16(24)20-7-5-11(6-8-20)15(23)10-22/h9,11-13,15,22-23H,1-8,10,17H2
InChIKeyMEWIEZCCQOGDAP-UHFFFAOYSA-N
XLogP-0.07
TPSA117.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70720670
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70771529
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70781969
[1-(4-aminocyclohexyl)triazol-4-yl]-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methanone
CID 56908233
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 74247946
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
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]-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166618494
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
[(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-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
CID 98260169

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone (CID 137340320) is [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone is NC1CCC(n2cc(C(=O)N3CCC(C(O)CO)CC3)nn2)CC1.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is MEWIEZCCQOGDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c17-12-1-3-13(4-2-12)21-9-14(18-19-21)16(24)20-7-5-11(6-8-20)15(23)10-22/h9,11-13,15,22-23H,1-8,10,17H2.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of -0.07, 4 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]-[4-(1,2-dihydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 137340320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).