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
SMILESCc1ccc(CNC(=O)NCC(c2ccco2)N2CCCCC2)n1C
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
MW344.46 g/mol
LogP2.95
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 344.46 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 Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
SMILESCc1ccc(CNC(=O)NCC(c2ccco2)N2CCCCC2)n1C
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
XLogP2.95
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]urea with MolForge

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Related Compounds

1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51083516
1-benzyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 24664373
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 71930287
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 36872492
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-hydroxybutyl)urea
CID 111336996
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 95131195
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 51291063

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 Cc1ccc(CNC(=O)NCC(c2ccco2)N2CCCCC2)n1C.
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 344.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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).