1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea

C17H25N3O2 — CID 110820264

IUPAC1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H25N3O2/c1-3-10-18-17(22)19-14-8-11-20(12-9-14)16(21)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H2,18,19,22)
InChIKeyRAKLOBBKCAEMDG-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.31
Rot. Bonds4

About 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea

1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea (PubChem CID 110820264) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
PubChem CID110820264
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C17H25N3O2/c1-3-10-18-17(22)19-14-8-11-20(12-9-14)16(21)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H2,18,19,22)
InChIKeyRAKLOBBKCAEMDG-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-(2-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566977
N-[1-(2-methylbenzoyl)piperidin-4-yl]pentanamide
CID 110820234
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(2-methylbenzoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110820250
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
2,3,4-trifluoro-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzamide
CID 108556830
1-[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110822794
1-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-propylurea
CID 110820501
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea (CID 110820264) is 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea?
The InChIKey is RAKLOBBKCAEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-10-18-17(22)19-14-8-11-20(12-9-14)16(21)15-7-5-4-6-13(15)2/h4-7,14H,3,8-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea?
1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea has a molecular weight of 303.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbenzoyl)piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 110820264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).