1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea

C18H27N3O3 — CID 122564176

IUPAC1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea
SMILESCOCCCN(Cc1ccc(C)cc1)C(=O)NC1CCCNC1=O
InChIInChI=1S/C18H27N3O3/c1-14-6-8-15(9-7-14)13-21(11-4-12-24-2)18(23)20-16-5-3-10-19-17(16)22/h6-9,16H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFAQKNGNISQZZOZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.82
Rot. Bonds7

About 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea

1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea (PubChem CID 122564176) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea
PubChem CID122564176
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea
SMILESCOCCCN(Cc1ccc(C)cc1)C(=O)NC1CCCNC1=O
InChIInChI=1S/C18H27N3O3/c1-14-6-8-15(9-7-14)13-21(11-4-12-24-2)18(23)20-16-5-3-10-19-17(16)22/h6-9,16H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyFAQKNGNISQZZOZ-UHFFFAOYSA-N
XLogP1.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.82
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-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea
CID 125436471
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
4-butyl-N-[(3R)-2-oxopiperidin-3-yl]benzamide
CID 54765874
3-[(1R)-1-(4-hydroxyphenyl)ethyl]-1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]urea
CID 125447004
1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 125447458
N-(3-methoxypropyl)-2-(2-methyl-5-oxopyrrolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 72866537
(2S,4S)-4-amino-N-(3-methoxypropyl)-1-methyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56716049
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 5150826
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914
1-ethyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3R)-2-oxopyrrolidin-3-yl]urea
CID 125439363

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea?
The IUPAC name of 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea (CID 122564176) is 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea.
What is the SMILES notation for 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea?
The canonical SMILES for 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea is COCCCN(Cc1ccc(C)cc1)C(=O)NC1CCCNC1=O.
What is the InChIKey of 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea?
The InChIKey is FAQKNGNISQZZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-6-8-15(9-7-14)13-21(11-4-12-24-2)18(23)20-16-5-3-10-19-17(16)22/h6-9,16H,3-5,10-13H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea?
1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea has a molecular weight of 333.43 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1-[(4-methylphenyl)methyl]-3-(2-oxopiperidin-3-yl)urea is sourced from PubChem (CID 122564176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).