[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea

C17H26N4O2 — CID 119487798

IUPAC[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
SMILESCNC1CCCN(C(=O)CC(NC(N)=O)c2ccccc2C)C1
InChIInChI=1S/C17H26N4O2/c1-12-6-3-4-8-14(12)15(20-17(18)23)10-16(22)21-9-5-7-13(11-21)19-2/h3-4,6,8,13,15,19H,5,7,9-11H2,1-2H3,(H3,18,20,23)
InChIKeyAALZVZXISHBMCO-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.30
Rot. Bonds5

About [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea

[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea (PubChem CID 119487798) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
PubChem CID119487798
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
SMILESCNC1CCCN(C(=O)CC(NC(N)=O)c2ccccc2C)C1
InChIInChI=1S/C17H26N4O2/c1-12-6-3-4-8-14(12)15(20-17(18)23)10-16(22)21-9-5-7-13(11-21)19-2/h3-4,6,8,13,15,19H,5,7,9-11H2,1-2H3,(H3,18,20,23)
InChIKeyAALZVZXISHBMCO-UHFFFAOYSA-N
XLogP1.30
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea with MolForge

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Related Compounds

(3S)-1-[(3R)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134807
(3S)-1-[(3S)-3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 125134805
[3-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea;hydrochloride
CID 119538615
[3-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea
CID 119621791
N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
(3R)-1-[(3R)-3-(methylamino)piperidin-1-yl]-3-[2-(trifluoromethyl)phenyl]butan-1-one
CID 124587837
3-(carbamoylamino)-3-(2-methylphenyl)-N-piperidin-3-ylpropanamide
CID 119424459
1-[3-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119488071
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
1-[3-(methylamino)piperidin-1-yl]-3-(2-methylanilino)propan-1-one;dihydrochloride
CID 119489264

Frequently Asked Questions

What is the IUPAC name of [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
The IUPAC name of [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea (CID 119487798) is [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea.
What is the SMILES notation for [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
The canonical SMILES for [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea is CNC1CCCN(C(=O)CC(NC(N)=O)c2ccccc2C)C1.
What is the InChIKey of [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
The InChIKey is AALZVZXISHBMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-6-3-4-8-14(12)15(20-17(18)23)10-16(22)21-9-5-7-13(11-21)19-2/h3-4,6,8,13,15,19H,5,7,9-11H2,1-2H3,(H3,18,20,23).
What are the key properties of [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea?
[3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea has a molecular weight of 318.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(methylamino)piperidin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea is sourced from PubChem (CID 119487798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).