N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide

C18H23N3O4 — CID 110800478

IUPACN-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H23N3O4/c1-12(22)19-14-5-6-16(25-2)15(11-14)18(24)21-9-7-20(8-10-21)17(23)13-3-4-13/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyPEEAUGZEBNHRRH-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.35
Rot. Bonds4

About N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide

N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide (PubChem CID 110800478) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
PubChem CID110800478
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H23N3O4/c1-12(22)19-14-5-6-16(25-2)15(11-14)18(24)21-9-7-20(8-10-21)17(23)13-3-4-13/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,19,22)
InChIKeyPEEAUGZEBNHRRH-UHFFFAOYSA-N
XLogP1.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
methyl 4-(5-acetamido-2-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808791
N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
CID 55893747
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110801888
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 110806427
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide (CID 110800478) is N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
The InChIKey is PEEAUGZEBNHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(22)19-14-5-6-16(25-2)15(11-14)18(24)21-9-7-20(8-10-21)17(23)13-3-4-13/h5-6,11,13H,3-4,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 110800478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).