1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea

C18H30N4O2 — CID 19962926

IUPAC1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C18H30N4O2/c1-15(2)21-18(23)20-8-6-12-24-17-13-16(7-9-19-17)14-22-10-4-3-5-11-22/h7,9,13,15H,3-6,8,10-12,14H2,1-2H3,(H2,20,21,23)
InChIKeyYPMVIOUQGGYGMV-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.54
Rot. Bonds8

About 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea

1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea (PubChem CID 19962926) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea
PubChem CID19962926
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCCOc1cc(CN2CCCCC2)ccn1
InChIInChI=1S/C18H30N4O2/c1-15(2)21-18(23)20-8-6-12-24-17-13-16(7-9-19-17)14-22-10-4-3-5-11-22/h7,9,13,15H,3-6,8,10-12,14H2,1-2H3,(H2,20,21,23)
InChIKeyYPMVIOUQGGYGMV-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]propanediamide
CID 139915610
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
N-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]-N'-propan-2-ylpropanediamide
CID 139915609
4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]butan-1-ol
CID 15228214
4-(piperidin-1-ylmethyl)-2-propoxypyridine
CID 54041616
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
3-N-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-1,2,5-thiadiazole-3,4-diamine
CID 13313699
1-tert-butyl-3-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]urea
CID 10089065
3-oxo-3-[[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]amino]propanoic acid
CID 139915599
N'-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanediamide
CID 139915589
1-cyclopentyl-3-[(Z)-4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]urea
CID 67725976
N'-[4-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]but-2-enyl]propanediamide
CID 67845640

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea (CID 19962926) is 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCCOc1cc(CN2CCCCC2)ccn1.
What is the InChIKey of 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea?
The InChIKey is YPMVIOUQGGYGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15(2)21-18(23)20-8-6-12-24-17-13-16(7-9-19-17)14-22-10-4-3-5-11-22/h7,9,13,15H,3-6,8,10-12,14H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea?
1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea has a molecular weight of 334.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(piperidin-1-ylmethyl)-2-pyridinyl]oxy]propyl]-3-propan-2-ylurea is sourced from PubChem (CID 19962926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).