1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea

C25H40N4O3 — CID 20908236

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCCOc1ccccc1NC(=O)N(CCCN1CCC(C)CC1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C25H40N4O3/c1-4-32-24-9-6-5-8-23(24)26-25(31)29(22-12-18-28(19-13-22)21(3)30)15-7-14-27-16-10-20(2)11-17-27/h5-6,8-9,20,22H,4,7,10-19H2,1-3H3,(H,26,31)
InChIKeyAKQUYRMWGTXKGD-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.05
Rot. Bonds8

About 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 20908236) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID20908236
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCCOc1ccccc1NC(=O)N(CCCN1CCC(C)CC1)C1CCN(C(C)=O)CC1
InChIInChI=1S/C25H40N4O3/c1-4-32-24-9-6-5-8-23(24)26-25(31)29(22-12-18-28(19-13-22)21(3)30)15-7-14-27-16-10-20(2)11-17-27/h5-6,8-9,20,22H,4,7,10-19H2,1-3H3,(H,26,31)
InChIKeyAKQUYRMWGTXKGD-UHFFFAOYSA-N
XLogP4.05
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea
CID 22510706
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylpiperidine-1-carbodithioate
CID 4687120
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
1,1-bis[(2S)-butan-2-yl]-3-(2-ethoxyphenyl)urea
CID 40635447
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 60589064

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea (CID 20908236) is 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea is CCOc1ccccc1NC(=O)N(CCCN1CCC(C)CC1)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is AKQUYRMWGTXKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-4-32-24-9-6-5-8-23(24)26-25(31)29(22-12-18-28(19-13-22)21(3)30)15-7-14-27-16-10-20(2)11-17-27/h5-6,8-9,20,22H,4,7,10-19H2,1-3H3,(H,26,31).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea?
1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 444.62 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 20908236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).