N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

C21H23N5O3 — CID 46375452

IUPACN-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21
InChIInChI=1S/C21H23N5O3/c1-2-26-17-6-4-3-5-16(17)23-20(26)24-9-11-25(12-10-24)21(27)22-15-7-8-18-19(13-15)29-14-28-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,27)
InChIKeySQKYLFRZYAPNTR-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.14
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide

N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide (PubChem CID 46375452) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
PubChem CID46375452
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
SMILESCCn1c(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21
InChIInChI=1S/C21H23N5O3/c1-2-26-17-6-4-3-5-16(17)23-20(26)24-9-11-25(12-10-24)21(27)22-15-7-8-18-19(13-15)29-14-28-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,27)
InChIKeySQKYLFRZYAPNTR-UHFFFAOYSA-N
XLogP3.14
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
N-(2-ethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375427
N-(1,3-benzodioxol-5-yl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50946417
4-(3-acetylphenyl)-N-(1,3-benzodioxol-5-yl)piperazine-1-carboxamide
CID 113114155
4-(1-ethylbenzimidazol-2-yl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 46375439
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
3-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-ethylpropanamide
CID 53129204
4-(1-ethylbenzimidazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carbothioamide
CID 1462230
ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
N-(1,3-benzodioxol-5-yl)-4-(2-nitrophenyl)piperazine-1-carboxamide
CID 51301743
N-(1,3-benzodioxol-5-yl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50947655

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide (CID 46375452) is N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide is CCn1c(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
The InChIKey is SQKYLFRZYAPNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-2-26-17-6-4-3-5-16(17)23-20(26)24-9-11-25(12-10-24)21(27)22-15-7-8-18-19(13-15)29-14-28-18/h3-8,13H,2,9-12,14H2,1H3,(H,22,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 46375452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).