(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C16H21N5O2 — CID 32647801

IUPAC(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H21N5O2/c22-15-9-12(11-21(15)13-1-2-13)16(23)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h3-4,10,12-13H,1-2,5-9,11H2/t12-/m0/s1
InChIKeyLUZZENJGEYJHFE-LBPRGKRZSA-N
MW315.38 g/mol
LogP0.14
Rot. Bonds3

About (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 32647801) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID32647801
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C16H21N5O2/c22-15-9-12(11-21(15)13-1-2-13)16(23)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h3-4,10,12-13H,1-2,5-9,11H2/t12-/m0/s1
InChIKeyLUZZENJGEYJHFE-LBPRGKRZSA-N
XLogP0.14
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)piperidin-1-yl]-[(3S,4S)-4-(methoxymethyl)-1-pyrazin-2-ylpyrrolidin-3-yl]methanone
CID 124052074
N-[2-(pyrazin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502105
(3aR,6aS)-5-(cyclopropylmethyl)-2-pyrazin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97401751
1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
N-Cyclopropyl-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 23609082
1-cyclopropyl-4-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2-pyrrolidinone
CID 70756328
2-(2,5-dioxopyrrolidin-1-yl)-N-((1-(pyrazin-2-yl)piperidin-4-yl)methyl)acetamide
CID 71786560
Cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 131638562
(4R)-1-cyclopropyl-4-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 164636504
cyclopropyl-[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502436
cyclopropyl-[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502437
4-(Fluoromethyl)-1-[1-(pyrazin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899738

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 32647801) is (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is LUZZENJGEYJHFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-15-9-12(11-21(15)13-1-2-13)16(23)20-7-5-19(6-8-20)14-10-17-3-4-18-14/h3-4,10,12-13H,1-2,5-9,11H2/t12-/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 315.38 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 32647801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).