1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

C19H30N4O2 — CID 134040587

IUPAC1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC(C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-14(2)18(23-11-9-22(4)10-12-23)13-20-19(25)21-17-7-5-16(6-8-17)15(3)24/h5-8,14,18H,9-13H2,1-4H3,(H2,20,21,25)
InChIKeySMSNEYDONLOWIH-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.28
Rot. Bonds6

About 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea

1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea (PubChem CID 134040587) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
PubChem CID134040587
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC Name1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC(C(C)C)N2CCN(C)CC2)cc1
InChIInChI=1S/C19H30N4O2/c1-14(2)18(23-11-9-22(4)10-12-23)13-20-19(25)21-17-7-5-16(6-8-17)15(3)24/h5-8,14,18H,9-13H2,1-4H3,(H2,20,21,25)
InChIKeySMSNEYDONLOWIH-UHFFFAOYSA-N
XLogP2.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[(2R)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 30739567
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(2-propan-2-ylphenyl)urea
CID 95594910
1-(4-acetylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108992269
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 56813976
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 95570484
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51943526
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(4-methylphenyl)sulfonylurea
CID 110403158

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea (CID 134040587) is 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea is CC(=O)c1ccc(NC(=O)NCC(C(C)C)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
The InChIKey is SMSNEYDONLOWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14(2)18(23-11-9-22(4)10-12-23)13-20-19(25)21-17-7-5-16(6-8-17)15(3)24/h5-8,14,18H,9-13H2,1-4H3,(H2,20,21,25).
What are the key properties of 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea?
1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea has a molecular weight of 346.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea is sourced from PubChem (CID 134040587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).