[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea

C15H22N4O2 — CID 60964314

IUPAC[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
SMILESCc1ccc(C(=O)N2CCCC(CNC(N)=O)C2)cc1N
InChIInChI=1S/C15H22N4O2/c1-10-4-5-12(7-13(10)16)14(20)19-6-2-3-11(9-19)8-18-15(17)21/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H3,17,18,21)
InChIKeyCQTBBFOGBCTGKZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.10
Rot. Bonds3

About [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea

[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea (PubChem CID 60964314) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
PubChem CID60964314
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
SMILESCc1ccc(C(=O)N2CCCC(CNC(N)=O)C2)cc1N
InChIInChI=1S/C15H22N4O2/c1-10-4-5-12(7-13(10)16)14(20)19-6-2-3-11(9-19)8-18-15(17)21/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H3,17,18,21)
InChIKeyCQTBBFOGBCTGKZ-UHFFFAOYSA-N
XLogP1.10
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(3-amino-4-methylbenzoyl)piperidine-3-carboxylate
CID 110488213
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
[1-(6-fluoropyridine-3-carbonyl)piperidin-3-yl]methylurea
CID 63978957
(3-amino-4-methylphenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63150370
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[1-(2-bromo-5-methylbenzoyl)piperidin-3-yl]methylurea
CID 80973642
[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109975
N-[[1-(3-aminobenzoyl)piperidin-3-yl]methyl]butanamide;hydrochloride
CID 119761652
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
[1-(5-aminopyridine-2-carbonyl)piperidin-3-yl]methylurea
CID 81317323

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea (CID 60964314) is [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea is Cc1ccc(C(=O)N2CCCC(CNC(N)=O)C2)cc1N.
What is the InChIKey of [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea?
The InChIKey is CQTBBFOGBCTGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-4-5-12(7-13(10)16)14(20)19-6-2-3-11(9-19)8-18-15(17)21/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H3,17,18,21).
What are the key properties of [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea?
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea has a molecular weight of 290.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 60964314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).