1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea

C19H29N3O3 — CID 95266911

IUPAC1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
SMILESCOCCCNC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C19H29N3O3/c1-14-6-4-10-22(13-14)18(23)16-7-8-17(15(2)12-16)21-19(24)20-9-5-11-25-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyFGZSFMCFVLFJOY-CQSZACIVSA-N
MW347.46 g/mol
LogP3.03
Rot. Bonds6

About 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea

1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea (PubChem CID 95266911) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
PubChem CID95266911
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea
SMILESCOCCCNC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C
InChIInChI=1S/C19H29N3O3/c1-14-6-4-10-22(13-14)18(23)16-7-8-17(15(2)12-16)21-19(24)20-9-5-11-25-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H2,20,21,24)/t14-/m1/s1
InChIKeyFGZSFMCFVLFJOY-CQSZACIVSA-N
XLogP3.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.03
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

(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
[3-(methoxymethyl)piperidin-1-yl]-[3-methyl-4-(methylamino)phenyl]methanone
CID 106588810
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 95249728
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
2-hydroxy-2-methyl-3-[[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077058
1-(2-methoxyethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]cyclobutane-1-carboxamide
CID 126793039

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea?
The IUPAC name of 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea (CID 95266911) is 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea is COCCCNC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C.
What is the InChIKey of 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea?
The InChIKey is FGZSFMCFVLFJOY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-6-4-10-22(13-14)18(23)16-7-8-17(15(2)12-16)21-19(24)20-9-5-11-25-3/h7-8,12,14H,4-6,9-11,13H2,1-3H3,(H2,20,21,24)/t14-/m1/s1.
What are the key properties of 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea?
1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea has a molecular weight of 347.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-[2-methyl-4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 95266911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).