1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea

C18H28N4O3 — CID 119728833

IUPAC1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESCOCCNCC(=O)N1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H28N4O3/c1-25-12-10-19-14-17(23)22-11-6-5-9-16(22)13-20-18(24)21-15-7-3-2-4-8-15/h2-4,7-8,16,19H,5-6,9-14H2,1H3,(H2,20,21,24)
InChIKeyCKQLRXCBPKFCQH-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.43
Rot. Bonds8

About 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea

1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea (PubChem CID 119728833) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
PubChem CID119728833
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESCOCCNCC(=O)N1CCCCC1CNC(=O)Nc1ccccc1
InChIInChI=1S/C18H28N4O3/c1-25-12-10-19-14-17(23)22-11-6-5-9-16(22)13-20-18(24)21-15-7-3-2-4-8-15/h2-4,7-8,16,19H,5-6,9-14H2,1H3,(H2,20,21,24)
InChIKeyCKQLRXCBPKFCQH-UHFFFAOYSA-N
XLogP1.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-[4-(methylamino)butanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728803
[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea
CID 119765951
1-phenyl-3-[[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methyl]urea;hydrochloride
CID 119728830
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548
1-[[1-[3-(3,4-difluorophenyl)propanoyl]piperidin-2-yl]methyl]-3-phenylurea
CID 86881246
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-phenylurea
CID 66260760
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
1-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]-3-phenylurea
CID 74735106
[(2R)-1-[2-(phenylcarbamoylamino)acetyl]pyrrolidin-2-yl]boronic acid
CID 15951641
3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119737074
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea (CID 119728833) is 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea is COCCNCC(=O)N1CCCCC1CNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is CKQLRXCBPKFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-12-10-19-14-17(23)22-11-6-5-9-16(22)13-20-18(24)21-15-7-3-2-4-8-15/h2-4,7-8,16,19H,5-6,9-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea?
1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 348.45 g/mol, XLogP of 1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 119728833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).