1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea

C19H29N3O5 — CID 3236787

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29N3O5/c1-14(23)21-9-7-15(8-10-21)22(11-12-25-2)19(24)20-17-6-5-16(26-3)13-18(17)27-4/h5-6,13,15H,7-12H2,1-4H3,(H,20,24)
InChIKeyWCAVQUJGFVRFRI-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.19
Rot. Bonds7

About 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea

1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea (PubChem CID 3236787) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
PubChem CID3236787
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29N3O5/c1-14(23)21-9-7-15(8-10-21)22(11-12-25-2)19(24)20-17-6-5-16(26-3)13-18(17)27-4/h5-6,13,15H,7-12H2,1-4H3,(H,20,24)
InChIKeyWCAVQUJGFVRFRI-UHFFFAOYSA-N
XLogP2.19
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea
CID 20968060
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
3-(2,4-dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554843
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 20908059
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea (CID 3236787) is 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea is COCCN(C(=O)Nc1ccc(OC)cc1OC)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea?
The InChIKey is WCAVQUJGFVRFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-14(23)21-9-7-15(8-10-21)22(11-12-25-2)19(24)20-17-6-5-16(26-3)13-18(17)27-4/h5-6,13,15H,7-12H2,1-4H3,(H,20,24).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea has a molecular weight of 379.46 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 3236787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).