1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea

C19H29N3O3 — CID 56684475

IUPAC1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCOCCCCNC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H29N3O3/c1-15-7-3-5-13-22(15)18(23)16-8-10-17(11-9-16)21-19(24)20-12-4-6-14-25-2/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,24)
InChIKeySZXFCJVBZOMJEZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.25
Rot. Bonds7

About 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea

1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea (PubChem CID 56684475) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
PubChem CID56684475
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea
SMILESCOCCCCNC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1
InChIInChI=1S/C19H29N3O3/c1-15-7-3-5-13-22(15)18(23)16-8-10-17(11-9-16)21-19(24)20-12-4-6-14-25-2/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,24)
InChIKeySZXFCJVBZOMJEZ-UHFFFAOYSA-N
XLogP3.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-3-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 95312775
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-[[(2S)-1-methoxypropan-2-yl]amino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 100706518
1-[4-[(4aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]-3-hexylurea
CID 142925414
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
1-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
7-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119712957
2,2-dimethyl-4-[4-[(2R)-2-methylpiperidine-1-carbonyl]anilino]-4-oxobutanoic acid
CID 99774161
1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
CID 7298536
1-(4-methoxyphenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 5295353
1-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]-3-[4-[(3R)-3-methylpiperidin-1-yl]butyl]urea
CID 52506535

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea (CID 56684475) is 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea is COCCCCNC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1.
What is the InChIKey of 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea?
The InChIKey is SZXFCJVBZOMJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15-7-3-5-13-22(15)18(23)16-8-10-17(11-9-16)21-19(24)20-12-4-6-14-25-2/h8-11,15H,3-7,12-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea?
1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea has a molecular weight of 347.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 56684475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).