4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide

C19H26N6O4 — CID 72912652

IUPAC4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2nc(N)n[nH]2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C19H26N6O4/c1-12(26)25-9-6-14(7-10-25)29-15-4-3-13(11-16(15)28-2)18(27)21-8-5-17-22-19(20)24-23-17/h3-4,11,14H,5-10H2,1-2H3,(H,21,27)(H3,20,22,23,24)
InChIKeyWRXYRVDVQKDRAQ-UHFFFAOYSA-N
MW402.46 g/mol
LogP0.76
Rot. Bonds7

About 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide

4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide (PubChem CID 72912652) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
PubChem CID72912652
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCc2nc(N)n[nH]2)ccc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C19H26N6O4/c1-12(26)25-9-6-14(7-10-25)29-15-4-3-13(11-16(15)28-2)18(27)21-8-5-17-22-19(20)24-23-17/h3-4,11,14H,5-10H2,1-2H3,(H,21,27)(H3,20,22,23,24)
InChIKeyWRXYRVDVQKDRAQ-UHFFFAOYSA-N
XLogP0.76
TPSA135.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide 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-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
4-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methoxybenzamide
CID 42289014
3-(1-acetylpiperidin-4-yl)oxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methoxybenzamide
CID 25274455
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72925930
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 23723924
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
1-[4-[4-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 133127375
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
methyl 2-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 91763287

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide (CID 72912652) is 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCc2nc(N)n[nH]2)ccc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide?
The InChIKey is WRXYRVDVQKDRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-12(26)25-9-6-14(7-10-25)29-15-4-3-13(11-16(15)28-2)18(27)21-8-5-17-22-19(20)24-23-17/h3-4,11,14H,5-10H2,1-2H3,(H,21,27)(H3,20,22,23,24).
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide?
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide has a molecular weight of 402.46 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 72912652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).