1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea

C21H28N4O2 — CID 118775035

IUPAC1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea
SMILESCN1CCC(Oc2ccccc2NC(=O)NCCCc2ccccn2)CC1
InChIInChI=1S/C21H28N4O2/c1-25-15-11-18(12-16-25)27-20-10-3-2-9-19(20)24-21(26)23-14-6-8-17-7-4-5-13-22-17/h2-5,7,9-10,13,18H,6,8,11-12,14-16H2,1H3,(H2,23,24,26)
InChIKeyBBIFZRLDTFSFPF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.31
Rot. Bonds7

About 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea

1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea (PubChem CID 118775035) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea
PubChem CID118775035
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea
SMILESCN1CCC(Oc2ccccc2NC(=O)NCCCc2ccccn2)CC1
InChIInChI=1S/C21H28N4O2/c1-25-15-11-18(12-16-25)27-20-10-3-2-9-19(20)24-21(26)23-14-6-8-17-7-4-5-13-22-17/h2-5,7,9-10,13,18H,6,8,11-12,14-16H2,1H3,(H2,23,24,26)
InChIKeyBBIFZRLDTFSFPF-UHFFFAOYSA-N
XLogP3.31
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.31
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

1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118772403
3-phenoxy-N-(3-pyridin-2-ylpropyl)pyrrolidine-1-carboxamide
CID 121499854
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
2-[(1-methylpiperidin-4-yl)amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 143176576
1-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97443408
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519173
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42291142
4-acetyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 72933823
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea?
The IUPAC name of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea (CID 118775035) is 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea.
What is the SMILES notation for 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea?
The canonical SMILES for 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea is CN1CCC(Oc2ccccc2NC(=O)NCCCc2ccccn2)CC1.
What is the InChIKey of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea?
The InChIKey is BBIFZRLDTFSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-25-15-11-18(12-16-25)27-20-10-3-2-9-19(20)24-21(26)23-14-6-8-17-7-4-5-13-22-17/h2-5,7,9-10,13,18H,6,8,11-12,14-16H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea?
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea has a molecular weight of 368.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-pyridin-2-ylpropyl)urea is sourced from PubChem (CID 118775035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).