N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide

C19H26N6O2S — CID 55372574

IUPACN-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1
InChIInChI=1S/C19H26N6O2S/c1-2-7-20-17(26)12-24-8-10-25(11-9-24)18(27)16-5-3-15(4-6-16)13-28-19-21-14-22-23-19/h3-6,14H,2,7-13H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyHAAUPBVHMNPTLK-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.38
Rot. Bonds8

About N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide

N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 55372574) has the molecular formula C19H26N6O2S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID55372574
Molecular FormulaC19H26N6O2S
Molecular Weight402.52 g/mol
Exact Mass402.18
IUPAC NameN-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1
InChIInChI=1S/C19H26N6O2S/c1-2-7-20-17(26)12-24-8-10-25(11-9-24)18(27)16-5-3-15(4-6-16)13-28-19-21-14-22-23-19/h3-6,14H,2,7-13H2,1H3,(H,20,26)(H,21,22,23)
InChIKeyHAAUPBVHMNPTLK-UHFFFAOYSA-N
XLogP1.38
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]-N-propylacetamide
CID 134014577
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
CID 24596001
2-[4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-N-propylacetamide
CID 55372592
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone
CID 134063525
N-propyl-2-[4-[4-(pyrazol-1-ylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 134045231
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 55839325
(3S)-1-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperidine-3-carboxylic acid
CID 138028577
2-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]-N-propylacetamide
CID 134014588
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
N-(3-methoxypropyl)-2-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]acetamide
CID 55429028
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide (CID 55372574) is N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide is CCCNC(=O)CN1CCN(C(=O)c2ccc(CSc3ncn[nH]3)cc2)CC1.
What is the InChIKey of N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is HAAUPBVHMNPTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2S/c1-2-7-20-17(26)12-24-8-10-25(11-9-24)18(27)16-5-3-15(4-6-16)13-28-19-21-14-22-23-19/h3-6,14H,2,7-13H2,1H3,(H,20,26)(H,21,22,23).
What are the key properties of N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide?
N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55372574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).