4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide

C19H32N4O2 — CID 110658829

IUPAC4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CC(=O)c2cc(C)n(C(C)C)c2C)CC1
InChIInChI=1S/C19H32N4O2/c1-6-7-20-19(25)22-10-8-21(9-11-22)13-18(24)17-12-15(4)23(14(2)3)16(17)5/h12,14H,6-11,13H2,1-5H3,(H,20,25)
InChIKeyFYFYFSKNCRZVTH-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.61
Rot. Bonds6

About 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide

4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110658829) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide
PubChem CID110658829
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(CC(=O)c2cc(C)n(C(C)C)c2C)CC1
InChIInChI=1S/C19H32N4O2/c1-6-7-20-19(25)22-10-8-21(9-11-22)13-18(24)17-12-15(4)23(14(2)3)16(17)5/h12,14H,6-11,13H2,1-5H3,(H,20,25)
InChIKeyFYFYFSKNCRZVTH-UHFFFAOYSA-N
XLogP2.61
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 17442702
2-(4-benzylsulfonylpiperazin-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 8694229
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanone
CID 110658866
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110658858
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654045
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 26601477
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110658853
4-[(2-methylphenyl)methyl]-N-propylpiperazine-1-carboxamide
CID 47120804
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95275489
1-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethyl]-3-propylurea
CID 110776269
(3aR,7aR)-2-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952037

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide (CID 110658829) is 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(CC(=O)c2cc(C)n(C(C)C)c2C)CC1.
What is the InChIKey of 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is FYFYFSKNCRZVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-6-7-20-19(25)22-10-8-21(9-11-22)13-18(24)17-12-15(4)23(14(2)3)16(17)5/h12,14H,6-11,13H2,1-5H3,(H,20,25).
What are the key properties of 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide?
4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110658829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).