1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

C19H28N4O2 — CID 51116327

IUPAC1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESCC1=CC=C(N1C)CNC(=O)NCC(C2=CC=CO2)N3CCCCC3
InChIInChI=1S/C19H28N4O2/c1-15-8-9-16(22(15)2)13-20-19(24)21-14-17(18-7-6-12-25-18)23-10-4-3-5-11-23/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3,(H2,20,21,24)
InChIKeyICVSVUXPXVVJKY-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.60
Rot. Bonds6

About 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea

1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (PubChem CID 51116327) has the molecular formula C19H28N4O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.

Molecular Properties

Compound Name1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
PubChem CID51116327
Molecular FormulaC19H28N4O2
Molecular Weight344.50 g/mol
Exact Mass344.22
IUPAC Name1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESCC1=CC=C(N1C)CNC(=O)NCC(C2=CC=CO2)N3CCCCC3
InChIInChI=1S/C19H28N4O2/c1-15-8-9-16(22(15)2)13-20-19(24)21-14-17(18-7-6-12-25-18)23-10-4-3-5-11-23/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3,(H2,20,21,24)
InChIKeyICVSVUXPXVVJKY-UHFFFAOYSA-N
XLogP1.60
TPSA62.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity428

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The IUPAC name of 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea (CID 51116327) is 1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea.
What is the SMILES notation for 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The canonical SMILES for 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is CC1=CC=C(N1C)CNC(=O)NCC(C2=CC=CO2)N3CCCCC3.
What is the InChIKey of 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
The InChIKey is ICVSVUXPXVVJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-8-9-16(22(15)2)13-20-19(24)21-14-17(18-7-6-12-25-18)23-10-4-3-5-11-23/h6-9,12,17H,3-5,10-11,13-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea?
1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea has a molecular weight of 344.50 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-Dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea is sourced from PubChem (CID 51116327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).