2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide

C16H21N5O3 — CID 71786560

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H21N5O3/c22-14(11-21-15(23)1-2-16(21)24)19-9-12-3-7-20(8-4-12)13-10-17-5-6-18-13/h5-6,10,12H,1-4,7-9,11H2,(H,19,22)
InChIKeyBWENYWKIVGCHGT-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.04
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 71786560) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide
PubChem CID71786560
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H21N5O3/c22-14(11-21-15(23)1-2-16(21)24)19-9-12-3-7-20(8-4-12)13-10-17-5-6-18-13/h5-6,10,12H,1-4,7-9,11H2,(H,19,22)
InChIKeyBWENYWKIVGCHGT-UHFFFAOYSA-N
XLogP-0.04
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222601
N-allyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222619
N-cyclohexyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 655805
8-[6-(3,3-Dimethylazetidin-1-yl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 134144349
N-(4-methylcyclohexyl)-1-(2-pyrazinyl)-4-piperidinecarboxamide
CID 656353
1-[1-(tert-butylamino)-1-oxopropan-2-yl]-N-pyrazin-2-ylpiperidine-4-carboxamide
CID 45832953
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
N1-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 71786355
4-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)piperidine-1,4-dicarboxamide
CID 72150052
N-(pyrazin-2-yl)piperidine-4-carboxamide dihydrochloride
CID 165669402
N-(Cyclohexylmethyl)-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 3222642
N-Cyclopropyl-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 23609082

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide (CID 71786560) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide is O=C(CN1C(=O)CCC1=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is BWENYWKIVGCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14(11-21-15(23)1-2-16(21)24)19-9-12-3-7-20(8-4-12)13-10-17-5-6-18-13/h5-6,10,12H,1-4,7-9,11H2,(H,19,22).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71786560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).