N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide

C19H26N4O4 — CID 55893747

IUPACN-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H26N4O4/c1-13(24)21-15-5-6-17(27-2)16(11-15)20-12-18(25)22-7-9-23(10-8-22)19(26)14-3-4-14/h5-6,11,14,20H,3-4,7-10,12H2,1-2H3,(H,21,24)
InChIKeyLGMNKOOGKLEOJF-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.15
Rot. Bonds6

About N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide

N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide (PubChem CID 55893747) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
PubChem CID55893747
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H26N4O4/c1-13(24)21-15-5-6-17(27-2)16(11-15)20-12-18(25)22-7-9-23(10-8-22)19(26)14-3-4-14/h5-6,11,14,20H,3-4,7-10,12H2,1-2H3,(H,21,24)
InChIKeyLGMNKOOGKLEOJF-UHFFFAOYSA-N
XLogP1.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110800478
N-[3-(2,2-difluoroethylamino)-4-methoxyphenyl]acetamide
CID 154366600
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 33161192
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
4-[2-(5-chloro-2-methoxyanilino)acetyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 60535261
2-(5-chloro-2-phenoxyanilino)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 55893105
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-ethylacetamide
CID 55437224
N-[4-chloro-3-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]phenyl]acetamide
CID 56514662
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide (CID 55893747) is N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NCC(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide?
The InChIKey is LGMNKOOGKLEOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-13(24)21-15-5-6-17(27-2)16(11-15)20-12-18(25)22-7-9-23(10-8-22)19(26)14-3-4-14/h5-6,11,14,20H,3-4,7-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide?
N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 55893747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).