1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea

C20H23N3O3 — CID 1289713

IUPAC1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-11-9-17(10-12-18)22-20(25)21-16-7-5-15(6-8-16)19(24)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H2,21,22,25)
InChIKeyBVLYJPXJTAETRY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.97
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea

1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea (PubChem CID 1289713) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
PubChem CID1289713
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-26-18-11-9-17(10-12-18)22-20(25)21-16-7-5-15(6-8-16)19(24)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H2,21,22,25)
InChIKeyBVLYJPXJTAETRY-UHFFFAOYSA-N
XLogP3.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 17199308
1-(3,5-dimethoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 17300942
1-[4-(azepane-1-carbonyl)phenyl]-3-[1-(2,5-dimethoxyphenyl)ethyl]urea
CID 55834664
N-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxamide
CID 175001605
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 42663789
3-(4-methoxyphenyl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 46533396
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
CID 46535547

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea (CID 1289713) is 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea is COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
The InChIKey is BVLYJPXJTAETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-11-9-17(10-12-18)22-20(25)21-16-7-5-15(6-8-16)19(24)23-13-3-2-4-14-23/h5-12H,2-4,13-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea?
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea has a molecular weight of 353.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 1289713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).