1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea

C18H29N3O2 — CID 47874249

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-23-13-5-10-19-18(22)20-14-16-8-11-21(12-9-16)15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H2,19,20,22)
InChIKeyKPKTUHVZCZDHMC-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.23
Rot. Bonds8

About 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea

1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea (PubChem CID 47874249) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
PubChem CID47874249
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N3O2/c1-23-13-5-10-19-18(22)20-14-16-8-11-21(12-9-16)15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H2,19,20,22)
InChIKeyKPKTUHVZCZDHMC-UHFFFAOYSA-N
XLogP2.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
CID 166243003
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
1-(2-phenoxyethyl)-3-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]urea
CID 71796742
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 111966626
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
(3S)-N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26399073
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237
4-chloro-N-[[4-[(3-methoxypropylcarbamoylamino)methyl]cyclohexyl]methyl]benzamide
CID 68875804
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
1-[4-(4-benzylpiperazin-1-yl)butyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975661

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea (CID 47874249) is 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea is COCCCNC(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea?
The InChIKey is KPKTUHVZCZDHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-23-13-5-10-19-18(22)20-14-16-8-11-21(12-9-16)15-17-6-3-2-4-7-17/h2-4,6-7,16H,5,8-15H2,1H3,(H2,19,20,22).
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea?
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea has a molecular weight of 319.45 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 47874249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).