1-hexyl-1-(3-piperidin-1-ylpropoxy)urea

C15H31N3O2 — CID 19598336

IUPAC1-hexyl-1-(3-piperidin-1-ylpropoxy)urea
SMILESCCCCCCN(OCCCN1CCCCC1)C(N)=O
InChIInChI=1S/C15H31N3O2/c1-2-3-4-8-13-18(15(16)19)20-14-9-12-17-10-6-5-7-11-17/h2-14H2,1H3,(H2,16,19)
InChIKeyBVSIKEADFHNLKQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.76
Rot. Bonds10

About 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea

1-hexyl-1-(3-piperidin-1-ylpropoxy)urea (PubChem CID 19598336) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea.

Molecular Properties

Compound Name1-hexyl-1-(3-piperidin-1-ylpropoxy)urea
PubChem CID19598336
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-hexyl-1-(3-piperidin-1-ylpropoxy)urea
SMILESCCCCCCN(OCCCN1CCCCC1)C(N)=O
InChIInChI=1S/C15H31N3O2/c1-2-3-4-8-13-18(15(16)19)20-14-9-12-17-10-6-5-7-11-17/h2-14H2,1H3,(H2,16,19)
InChIKeyBVSIKEADFHNLKQ-UHFFFAOYSA-N
XLogP2.76
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Hexyl-3-(3-piperidin-1-ylpropoxy)urea
CID 18766182
3-Hexyl-1-methyl-1-(3-piperidin-1-ylpropoxy)urea
CID 18766192
3-Piperidin-1-ylpropoxyurea
CID 18766261
1-Pentyl-3-(3-piperidin-1-ylpropoxy)urea
CID 19598343
1-Tert-butyl-1-ethyl-3-(1-methylpiperidin-4-yl)oxyurea
CID 89884423
N-methoxypiperidine-1-carboxamide
CID 89923826
N-ethoxypiperidine-1-carboxamide
CID 104466291
1-Methoxy-1-(1-methylpiperidin-4-yl)urea
CID 123896711
Ethane;4-methoxypiperidine-1-carboxamide
CID 143723135
4-(Ethoxyamino)piperidine-1-carboxamide
CID 82710494
4-(ethoxyamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83261832
N-(2-methoxyethoxy)piperidine-1-carboxamide
CID 104466387

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea?
The IUPAC name of 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea (CID 19598336) is 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea.
What is the SMILES notation for 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea?
The canonical SMILES for 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea is CCCCCCN(OCCCN1CCCCC1)C(N)=O.
What is the InChIKey of 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea?
The InChIKey is BVSIKEADFHNLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-2-3-4-8-13-18(15(16)19)20-14-9-12-17-10-6-5-7-11-17/h2-14H2,1H3,(H2,16,19).
What are the key properties of 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea?
1-hexyl-1-(3-piperidin-1-ylpropoxy)urea has a molecular weight of 285.43 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1-(3-piperidin-1-ylpropoxy)urea is sourced from PubChem (CID 19598336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).