N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide

C24H35N5O3 — CID 10836894

IUPACN-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCN(CCCN3CC(=O)N4CCCC4C3=O)CC2)c1
InChIInChI=1S/C24H35N5O3/c1-18(2)23(31)25-19-6-3-7-20(16-19)27-14-12-26(13-15-27)9-5-10-28-17-22(30)29-11-4-8-21(29)24(28)32/h3,6-7,16,18,21H,4-5,8-15,17H2,1-2H3,(H,25,31)
InChIKeyMUECEXHMGCXDKA-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.63
Rot. Bonds7

About N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide

N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide (PubChem CID 10836894) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide
PubChem CID10836894
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCN(CCCN3CC(=O)N4CCCC4C3=O)CC2)c1
InChIInChI=1S/C24H35N5O3/c1-18(2)23(31)25-19-6-3-7-20(16-19)27-14-12-26(13-15-27)9-5-10-28-17-22(30)29-11-4-8-21(29)24(28)32/h3,6-7,16,18,21H,4-5,8-15,17H2,1-2H3,(H,25,31)
InChIKeyMUECEXHMGCXDKA-UHFFFAOYSA-N
XLogP1.63
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

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CID 47379438
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CID 990015
2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]-N-propylbenzamide
CID 101339342
2-[3-[4-(2-butoxyphenyl)piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 10503368
2-[3-[4-(3-aminophenyl)piperazin-1-yl]propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 10619237
(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
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N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]-2-methylpropanamide
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CID 7686856
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
CID 142930531
2-(2-hydroxyethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115825034
(6aS)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92751434

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide (CID 10836894) is N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(N2CCN(CCCN3CC(=O)N4CCCC4C3=O)CC2)c1.
What is the InChIKey of N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
The InChIKey is MUECEXHMGCXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-18(2)23(31)25-19-6-3-7-20(16-19)27-14-12-26(13-15-27)9-5-10-28-17-22(30)29-11-4-8-21(29)24(28)32/h3,6-7,16,18,21H,4-5,8-15,17H2,1-2H3,(H,25,31).
What are the key properties of N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide?
N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide has a molecular weight of 441.58 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]piperazin-1-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 10836894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).