4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide

C18H22N6O3 — CID 155203606

IUPAC4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide
SMILESCC1(n2cc(-c3ccc(C(=O)N4CCN(C(N)=O)CC4)cc3)nn2)COC1
InChIInChI=1S/C18H22N6O3/c1-18(11-27-12-18)24-10-15(20-21-24)13-2-4-14(5-3-13)16(25)22-6-8-23(9-7-22)17(19)26/h2-5,10H,6-9,11-12H2,1H3,(H2,19,26)
InChIKeyOBZHDSRRVNASMO-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.53
Rot. Bonds3

About 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide

4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide (PubChem CID 155203606) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide
PubChem CID155203606
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide
SMILESCC1(n2cc(-c3ccc(C(=O)N4CCN(C(N)=O)CC4)cc3)nn2)COC1
InChIInChI=1S/C18H22N6O3/c1-18(11-27-12-18)24-10-15(20-21-24)13-2-4-14(5-3-13)16(25)22-6-8-23(9-7-22)17(19)26/h2-5,10H,6-9,11-12H2,1H3,(H2,19,26)
InChIKeyOBZHDSRRVNASMO-UHFFFAOYSA-N
XLogP0.53
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide 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-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[4-(1-methyltriazol-4-yl)phenyl]phenyl]methanone
CID 118621731
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
[4-[4-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 134801691
[4-(1-tert-butyltriazol-4-yl)phenyl]-[4-(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192550
[4-(3-aminooxetane-3-carbonyl)piperazin-1-yl]-[4-(1,3-benzothiazol-2-yl)phenyl]methanone
CID 118621640
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
4-(1-tert-butyltriazol-4-yl)benzoic acid
CID 149429914
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
(1-methylcycloprop-2-en-1-yl) 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 143267121

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide (CID 155203606) is 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide is CC1(n2cc(-c3ccc(C(=O)N4CCN(C(N)=O)CC4)cc3)nn2)COC1.
What is the InChIKey of 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide?
The InChIKey is OBZHDSRRVNASMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-18(11-27-12-18)24-10-15(20-21-24)13-2-4-14(5-3-13)16(25)22-6-8-23(9-7-22)17(19)26/h2-5,10H,6-9,11-12H2,1H3,(H2,19,26).
What are the key properties of 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide?
4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-methyloxetan-3-yl)triazol-4-yl]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 155203606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).