[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone

C19H26N6O — CID 98260169

IUPAC[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
SMILESNC1CCC(n2cc(C(=O)N3CCN[C@@H](c4ccccc4)C3)nn2)CC1
InChIInChI=1S/C19H26N6O/c20-15-6-8-16(9-7-15)25-13-18(22-23-25)19(26)24-11-10-21-17(12-24)14-4-2-1-3-5-14/h1-5,13,15-17,21H,6-12,20H2/t15?,16?,17-/m1/s1
InChIKeyHBVQYAONORNJFD-OFLPRAFFSA-N
MW354.46 g/mol
LogP1.51
Rot. Bonds3

About [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone

[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone (PubChem CID 98260169) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
PubChem CID98260169
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone
SMILESNC1CCC(n2cc(C(=O)N3CCN[C@@H](c4ccccc4)C3)nn2)CC1
InChIInChI=1S/C19H26N6O/c20-15-6-8-16(9-7-15)25-13-18(22-23-25)19(26)24-11-10-21-17(12-24)14-4-2-1-3-5-14/h1-5,13,15-17,21H,6-12,20H2/t15?,16?,17-/m1/s1
InChIKeyHBVQYAONORNJFD-OFLPRAFFSA-N
XLogP1.51
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 74247946
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124693146
[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]-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170502169
[(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-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
1-[(3R,4R)-1-[1-(4-aminocyclohexyl)triazole-4-carbonyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135090785

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone?
The IUPAC name of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone (CID 98260169) is [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone?
The canonical SMILES for [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone is NC1CCC(n2cc(C(=O)N3CCN[C@@H](c4ccccc4)C3)nn2)CC1.
What is the InChIKey of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone?
The InChIKey is HBVQYAONORNJFD-OFLPRAFFSA-N. The full InChI is InChI=1S/C19H26N6O/c20-15-6-8-16(9-7-15)25-13-18(22-23-25)19(26)24-11-10-21-17(12-24)14-4-2-1-3-5-14/h1-5,13,15-17,21H,6-12,20H2/t15?,16?,17-/m1/s1.
What are the key properties of [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone?
[1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminocyclohexyl)triazol-4-yl]-[(3S)-3-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 98260169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).