[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea

C15H21N3O3 — CID 95306637

IUPAC[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
SMILESCOc1cccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-21-13-7-4-5-11(9-13)14(19)18-8-3-2-6-12(18)10-17-15(16)20/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H3,16,17,20)/t12-/m1/s1
InChIKeyYSGTWFIGFBAWIU-GFCCVEGCSA-N
MW291.35 g/mol
LogP1.36
Rot. Bonds4

About [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea

[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea (PubChem CID 95306637) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
PubChem CID95306637
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
SMILESCOc1cccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1
InChIInChI=1S/C15H21N3O3/c1-21-13-7-4-5-11(9-13)14(19)18-8-3-2-6-12(18)10-17-15(16)20/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H3,16,17,20)/t12-/m1/s1
InChIKeyYSGTWFIGFBAWIU-GFCCVEGCSA-N
XLogP1.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579872
3-amino-N-[[1-[3-(difluoromethoxy)benzoyl]piperidin-2-yl]methyl]propanamide
CID 120578293
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
[1-(3,4,5-trifluorobenzoyl)piperidin-2-yl]methylurea
CID 56826500
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
N-[[1-(3-aminobenzoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944716
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea?
The IUPAC name of [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea (CID 95306637) is [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea?
The canonical SMILES for [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea is COc1cccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1.
What is the InChIKey of [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea?
The InChIKey is YSGTWFIGFBAWIU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-7-4-5-11(9-13)14(19)18-8-3-2-6-12(18)10-17-15(16)20/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H3,16,17,20)/t12-/m1/s1.
What are the key properties of [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea?
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea has a molecular weight of 291.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 95306637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).