1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea

C20H28N4O — CID 56584237

IUPAC1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESCC1CCCN(C(C)CNC(=O)Nc2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C20H28N4O/c1-16-7-6-12-24(15-16)17(2)14-21-20(25)22-18-8-5-9-19(13-18)23-10-3-4-11-23/h3-5,8-11,13,16-17H,6-7,12,14-15H2,1-2H3,(H2,21,22,25)
InChIKeyCOCVSQUMEGBEGS-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.72
Rot. Bonds5

About 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea

1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea (PubChem CID 56584237) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea
PubChem CID56584237
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea
SMILESCC1CCCN(C(C)CNC(=O)Nc2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C20H28N4O/c1-16-7-6-12-24(15-16)17(2)14-21-20(25)22-18-8-5-9-19(13-18)23-10-3-4-11-23/h3-5,8-11,13,16-17H,6-7,12,14-15H2,1-2H3,(H2,21,22,25)
InChIKeyCOCVSQUMEGBEGS-UHFFFAOYSA-N
XLogP3.72
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylpiperidin-1-yl)propyl]-3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylurea
CID 55696095
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
3-(methoxymethyl)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 100850955
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
CID 119946563
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
1-[(1,1-dioxothian-4-yl)methyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 91646321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea (CID 56584237) is 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea is CC1CCCN(C(C)CNC(=O)Nc2cccc(-n3cccc3)c2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea?
The InChIKey is COCVSQUMEGBEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-7-6-12-24(15-16)17(2)14-21-20(25)22-18-8-5-9-19(13-18)23-10-3-4-11-23/h3-5,8-11,13,16-17H,6-7,12,14-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea?
1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea has a molecular weight of 340.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 56584237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).