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

C22H35N3O5 — CID 20968060

IUPAC1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea
SMILESCOc1ccc(NC(=O)N(CCCOC(C)C)C2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C22H35N3O5/c1-16(2)30-14-6-11-25(18-9-12-24(13-10-18)17(3)26)22(27)23-20-8-7-19(28-4)15-21(20)29-5/h7-8,15-16,18H,6,9-14H2,1-5H3,(H,23,27)
InChIKeyZYLIGTTZPDGVSQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.36
Rot. Bonds9

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

1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea (PubChem CID 20968060) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea
PubChem CID20968060
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea
SMILESCOc1ccc(NC(=O)N(CCCOC(C)C)C2CCN(C(C)=O)CC2)c(OC)c1
InChIInChI=1S/C22H35N3O5/c1-16(2)30-14-6-11-25(18-9-12-24(13-10-18)17(3)26)22(27)23-20-8-7-19(28-4)15-21(20)29-5/h7-8,15-16,18H,6,9-14H2,1-5H3,(H,23,27)
InChIKeyZYLIGTTZPDGVSQ-UHFFFAOYSA-N
XLogP3.36
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
1-(1-acetylpiperidin-4-yl)-3-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)thiourea
CID 4668148
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
3-(2,4-dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554843
propan-2-yl 4-[(2,4-dimethoxyphenyl)carbamoyloxymethyl]piperidine-1-carboxylate
CID 24885232
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812273
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea (CID 20968060) is 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea is COc1ccc(NC(=O)N(CCCOC(C)C)C2CCN(C(C)=O)CC2)c(OC)c1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea?
The InChIKey is ZYLIGTTZPDGVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5/c1-16(2)30-14-6-11-25(18-9-12-24(13-10-18)17(3)26)22(27)23-20-8-7-19(28-4)15-21(20)29-5/h7-8,15-16,18H,6,9-14H2,1-5H3,(H,23,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea has a molecular weight of 421.54 g/mol, XLogP of 3.36, 9 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-(3-propan-2-yloxypropyl)urea is sourced from PubChem (CID 20968060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).