N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide

C28H36N4O4 — CID 42787049

IUPACN-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)o1)C(=O)CC
InChIInChI=1S/C28H36N4O4/c1-4-14-32(27(33)5-2)20-22-9-8-15-31(22)21-23-12-13-26(36-23)28(34)30-18-16-29(17-19-30)24-10-6-7-11-25(24)35-3/h6-13,15H,4-5,14,16-21H2,1-3H3
InChIKeyLKMMQCBPATYBHD-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.25
Rot. Bonds10

About N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide

N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide (PubChem CID 42787049) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
PubChem CID42787049
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
SMILESCCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)o1)C(=O)CC
InChIInChI=1S/C28H36N4O4/c1-4-14-32(27(33)5-2)20-22-9-8-15-31(22)21-23-12-13-26(36-23)28(34)30-18-16-29(17-19-30)24-10-6-7-11-25(24)35-3/h6-13,15H,4-5,14,16-21H2,1-3H3
InChIKeyLKMMQCBPATYBHD-UHFFFAOYSA-N
XLogP4.25
TPSA71.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[[5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-fluoro-N-propylbenzamide
CID 3883280
N-[[1-[[5-(2,6-dimethylmorpholine-4-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide
CID 42787068
N-[[1-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-2-methoxy-N-propylacetamide
CID 42787362
N-[[1-[[5-(piperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopropanecarboxamide
CID 7265120
ethyl 4-[5-[[2-[[(4-methylbenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 42787138
N-[[1-[[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-fluoro-N-propylbenzamide
CID 42787091
N-[[1-[[5-(4-acetylpiperazine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
CID 42787156
4-methyl-N-propyl-N-[[1-[[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]benzamide
CID 42787126
2-chloro-N-[[1-[[5-(4-methylpiperidine-1-carbonyl)furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylbenzamide
CID 42666160
N-[[1-[[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylcyclopentanecarboxamide
CID 42666140
N-(2-morpholin-4-ylethyl)-5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7265561
1-[5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 42787098

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide?
The IUPAC name of N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide (CID 42787049) is N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide.
What is the SMILES notation for N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide?
The canonical SMILES for N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide is CCCN(Cc1cccn1Cc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)o1)C(=O)CC.
What is the InChIKey of N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide?
The InChIKey is LKMMQCBPATYBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-4-14-32(27(33)5-2)20-22-9-8-15-31(22)21-23-12-13-26(36-23)28(34)30-18-16-29(17-19-30)24-10-6-7-11-25(24)35-3/h6-13,15H,4-5,14,16-21H2,1-3H3.
What are the key properties of N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide?
N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide has a molecular weight of 492.62 g/mol, XLogP of 4.25, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyrrol-2-yl]methyl]-N-propylpropanamide is sourced from PubChem (CID 42787049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).