[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea

C18H27N3O2 — CID 56782456

IUPAC[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
SMILESCc1ccccc1C1CCN(C(=O)CCCCNC(N)=O)CC1
InChIInChI=1S/C18H27N3O2/c1-14-6-2-3-7-16(14)15-9-12-21(13-10-15)17(22)8-4-5-11-20-18(19)23/h2-3,6-7,15H,4-5,8-13H2,1H3,(H3,19,20,23)
InChIKeySDEBVGSDOWZEHG-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds6

About [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea

[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea (PubChem CID 56782456) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea.

Molecular Properties

Compound Name[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
PubChem CID56782456
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
SMILESCc1ccccc1C1CCN(C(=O)CCCCNC(N)=O)CC1
InChIInChI=1S/C18H27N3O2/c1-14-6-2-3-7-16(14)15-9-12-21(13-10-15)17(22)8-4-5-11-20-18(19)23/h2-3,6-7,15H,4-5,8-13H2,1H3,(H3,19,20,23)
InChIKeySDEBVGSDOWZEHG-UHFFFAOYSA-N
XLogP2.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-6-oxohexyl]urea
CID 9162651
[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-oxopentyl]urea
CID 9271204
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
4-[3-[4-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119184332
4-ethoxy-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 94821461
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
CID 153400679
4-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]butylurea
CID 166835126
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
3-methoxy-1-[4-[[3-(2-methylphenyl)cyclobutyl]amino]piperidin-1-yl]propan-1-one
CID 86787734
1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 95295911
2-chloro-1-[3-(2-methylphenyl)azetidin-1-yl]ethanone
CID 166431801
[5-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-oxopentyl]urea
CID 9224007

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea?
The IUPAC name of [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea (CID 56782456) is [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea.
What is the SMILES notation for [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea?
The canonical SMILES for [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea is Cc1ccccc1C1CCN(C(=O)CCCCNC(N)=O)CC1.
What is the InChIKey of [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea?
The InChIKey is SDEBVGSDOWZEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-6-2-3-7-16(14)15-9-12-21(13-10-15)17(22)8-4-5-11-20-18(19)23/h2-3,6-7,15H,4-5,8-13H2,1H3,(H3,19,20,23).
What are the key properties of [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea?
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea is sourced from PubChem (CID 56782456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).