1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea

C22H27N3O3 — CID 20908043

IUPAC1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
SMILESCOc1ccc(CN(C(=O)Nc2ccccc2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17(26)24-14-12-20(13-15-24)25(16-18-8-10-21(28-2)11-9-18)22(27)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,27)
InChIKeyUGDLYDBSZLZLHF-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.74
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea

1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea (PubChem CID 20908043) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
PubChem CID20908043
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
SMILESCOc1ccc(CN(C(=O)Nc2ccccc2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-17(26)24-14-12-20(13-15-24)25(16-18-8-10-21(28-2)11-9-18)22(27)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,27)
InChIKeyUGDLYDBSZLZLHF-UHFFFAOYSA-N
XLogP3.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 20908059
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 4545161
1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 13201307
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
4-[[2-[benzenesulfonyl(propyl)amino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-phenylpiperidine-1-carboxamide
CID 42880652
(2S,3R)-3-[(4-acetylphenyl)carbamoyl-[(4-methoxyphenyl)methyl]amino]-1-oxalopyrrolidine-2-carboxylic acid
CID 11884492
4-[2,2-dimethoxyethyl(phenylcarbamoyl)amino]piperidine-1-carboxylic acid
CID 68962780
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31425300
2-[4-[4-(1-acetylpiperidin-4-yl)oxyphenoxy]phenyl]-N-phenylacetamide
CID 141019781
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea (CID 20908043) is 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea is COc1ccc(CN(C(=O)Nc2ccccc2)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea?
The InChIKey is UGDLYDBSZLZLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(26)24-14-12-20(13-15-24)25(16-18-8-10-21(28-2)11-9-18)22(27)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H,23,27).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea?
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea has a molecular weight of 381.48 g/mol, XLogP of 3.74, 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)-1-[(4-methoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 20908043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).