1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea

C20H30N4O3 — CID 91916279

IUPAC1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
SMILESCCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-10-22-20(26)24(17-8-14-27-15-9-17)16-6-12-23(13-7-16)19(25)18-5-3-4-11-21-18/h3-5,11,16-17H,2,6-10,12-15H2,1H3,(H,22,26)
InChIKeyCLVCGQOFNQQOBF-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.29
Rot. Bonds5

About 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea

1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea (PubChem CID 91916279) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
PubChem CID91916279
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea
SMILESCCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C20H30N4O3/c1-2-10-22-20(26)24(17-8-14-27-15-9-17)16-6-12-23(13-7-16)19(25)18-5-3-4-11-21-18/h3-5,11,16-17H,2,6-10,12-15H2,1H3,(H,22,26)
InChIKeyCLVCGQOFNQQOBF-UHFFFAOYSA-N
XLogP2.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea with MolForge

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Related Compounds

Piperazine carbamate/urea derivative 3
CID 89487899
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
Piperazine-1,4-diylbis(pyridin-2-ylmethanone)
CID 258989
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 2408490
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 145964519
Methyl 4-(pyridine-2-carbonylamino)butanoate
CID 2466151
N-{1-[(cyclopentylamino)carbonyl]-1-methylpropyl}-N-methylpyridine-2-carboxamide
CID 3515437
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11501253
N-[4-(4-phenylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 11537385
1-Cyclohexyl-3-(1-picolinoylpiperidin-4-yl)urea
CID 25070137
N-[4-(pyridine-2-carbonylamino)butyl]pyridine-2-carboxamide
CID 3152209

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea (CID 91916279) is 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea is CCCNC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
The InChIKey is CLVCGQOFNQQOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-10-22-20(26)24(17-8-14-27-15-9-17)16-6-12-23(13-7-16)19(25)18-5-3-4-11-21-18/h3-5,11,16-17H,2,6-10,12-15H2,1H3,(H,22,26).
What are the key properties of 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea?
1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea has a molecular weight of 374.49 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-propyl-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 91916279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).