1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea

C15H32N4O4 — CID 171081625

IUPAC1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea
SMILESCC(C)N1CCC(OCCOCCOCCNC(=O)NN)CC1
InChIInChI=1S/C15H32N4O4/c1-13(2)19-6-3-14(4-7-19)23-12-11-22-10-9-21-8-5-17-15(20)18-16/h13-14H,3-12,16H2,1-2H3,(H2,17,18,20)
InChIKeyCPBHIWLIHUPWAI-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.08
Rot. Bonds11

About 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea

1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea (PubChem CID 171081625) has the molecular formula C15H32N4O4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea
PubChem CID171081625
Molecular FormulaC15H32N4O4
Molecular Weight332.45 g/mol
Exact Mass332.24
IUPAC Name1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea
SMILESCC(C)N1CCC(OCCOCCOCCNC(=O)NN)CC1
InChIInChI=1S/C15H32N4O4/c1-13(2)19-6-3-14(4-7-19)23-12-11-22-10-9-21-8-5-17-15(20)18-16/h13-14H,3-12,16H2,1-2H3,(H2,17,18,20)
InChIKeyCPBHIWLIHUPWAI-UHFFFAOYSA-N
XLogP0.08
TPSA98.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-4-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine
CID 174243308
ethane;N-[2-[2-[2-[2-[2-(1-methylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 171081964
N-propan-2-yl-2-(1-propan-2-ylpiperidin-4-yl)oxyacetamide
CID 172511111
3-methyl-N-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethyl]butanamide
CID 164535761
2-[4-(3-methylbutoxy)piperidin-1-yl]propanoic acid
CID 119134737
N-(2-cyclopentyloxyethyl)-1-propan-2-ylpiperidin-4-amine
CID 63823696
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
2-[4-[2-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethoxy]ethoxy]piperidin-1-yl]-N-methylacetamide
CID 177054730
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide
CID 59979845
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea?
The IUPAC name of 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea (CID 171081625) is 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea.
What is the SMILES notation for 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea?
The canonical SMILES for 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea is CC(C)N1CCC(OCCOCCOCCNC(=O)NN)CC1.
What is the InChIKey of 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea?
The InChIKey is CPBHIWLIHUPWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O4/c1-13(2)19-6-3-14(4-7-19)23-12-11-22-10-9-21-8-5-17-15(20)18-16/h13-14H,3-12,16H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea?
1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea has a molecular weight of 332.45 g/mol, XLogP of 0.08, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-[2-[2-(1-propan-2-ylpiperidin-4-yl)oxyethoxy]ethoxy]ethyl]urea is sourced from PubChem (CID 171081625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).