1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea

C19H29N3O3 — CID 22510706

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea
SMILESCCOc1ccccc1NC(=O)N(C(C)C)C1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29N3O3/c1-5-25-18-9-7-6-8-17(18)20-19(24)22(14(2)3)16-10-12-21(13-11-16)15(4)23/h6-9,14,16H,5,10-13H2,1-4H3,(H,20,24)
InChIKeyLRBIZLYKTVGUSB-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.34
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea (PubChem CID 22510706) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea
PubChem CID22510706
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea
SMILESCCOc1ccccc1NC(=O)N(C(C)C)C1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29N3O3/c1-5-25-18-9-7-6-8-17(18)20-19(24)22(14(2)3)16-10-12-21(13-11-16)15(4)23/h6-9,14,16H,5,10-13H2,1-4H3,(H,20,24)
InChIKeyLRBIZLYKTVGUSB-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 20908236
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
N-(2-ethoxyphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007533
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
2-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)acetamide
CID 113158429
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61181189
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-ethoxyphenyl)propanamide
CID 87040089
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
3-[acetyl(cyclopropyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115445
N-(2-ethoxyphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91916489

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea (CID 22510706) is 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea is CCOc1ccccc1NC(=O)N(C(C)C)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea?
The InChIKey is LRBIZLYKTVGUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-5-25-18-9-7-6-8-17(18)20-19(24)22(14(2)3)16-10-12-21(13-11-16)15(4)23/h6-9,14,16H,5,10-13H2,1-4H3,(H,20,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea?
1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea has a molecular weight of 347.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(2-ethoxyphenyl)-1-propan-2-ylurea is sourced from PubChem (CID 22510706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).