1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea

C20H27N5O2 — CID 55744742

IUPAC1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
SMILESCOc1ncccc1NC(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H27N5O2/c1-27-19-18(9-5-10-21-19)23-20(26)22-11-6-12-24-13-15-25(16-14-24)17-7-3-2-4-8-17/h2-5,7-10H,6,11-16H2,1H3,(H2,22,23,26)
InChIKeyJOQBRYMDWIHROH-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.42
Rot. Bonds7

About 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea

1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea (PubChem CID 55744742) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
PubChem CID55744742
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
SMILESCOc1ncccc1NC(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H27N5O2/c1-27-19-18(9-5-10-21-19)23-20(26)22-11-6-12-24-13-15-25(16-14-24)17-7-3-2-4-8-17/h2-5,7-10H,6,11-16H2,1H3,(H2,22,23,26)
InChIKeyJOQBRYMDWIHROH-UHFFFAOYSA-N
XLogP2.42
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-3-pyridinyl)-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 47042538
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22334724
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
3-(3-pyrrolidin-1-ylpropylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743602
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989534
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea (CID 55744742) is 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea is COc1ncccc1NC(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
The InChIKey is JOQBRYMDWIHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-27-19-18(9-5-10-21-19)23-20(26)22-11-6-12-24-13-15-25(16-14-24)17-7-3-2-4-8-17/h2-5,7-10H,6,11-16H2,1H3,(H2,22,23,26).
What are the key properties of 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea?
1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea has a molecular weight of 369.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 55744742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).